methyl 2-[2-(1,3-benzothiazol-2-yl)-4-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-3-oxo-1H-pyrazol-5-yl]acetate
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![methyl 2-[2-(1,3-benzothiazol-2-yl)-4-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-3-oxo-1H-pyrazol-5-yl]acetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/be94888a909049e1a1d065c5ed26cc4e.png "methyl 2-[2-(1,3-benzothiazol-2-yl)-4-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-3-oxo-1H-pyrazol-5-yl]acetate")
methyl 2-[2-(1,3-benzothiazol-2-yl)-4-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-3-oxo-1H-pyrazol-5-yl]acetate
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CAS No:
521327-92-4
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Formula:
C21H17ClN4O3S
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Chemical Name:
methyl 2-[2-(1,3-benzothiazol-2-yl)-4-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-3-oxo-1H-pyrazol-5-yl]acetate
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Synonyms:
MLS000778920;SMR000415623;{1-Benzothiazol-2-yl-4-[1-(4-chloro-phenylamino)-eth-(E)-ylidene]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}-ac etic acid methyl ester;CHEMBL1705002;CHEMBL3196115;BDBM44245;cid_6861088;HMS2771H11;STK149848;ZINC17967785;AKOS002320852;AKOS003319752;ZINC100161138;MCULE-6895071088;MCULE-8096001525;methyl 2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-(4-chloroanilino)ethylidene]-5-oxopyrazol-3-yl]acetate;MLS-0306308.0001;2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-(4-chloroanilino)ethylidene]-5-keto-2-pyrazolin-3-yl]acetic acid methyl ester;2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-(4-chloroanilino)ethylidene]-5-oxo-3-pyrazolyl]acetic acid methyl ester;521327-92-4;methyl ((4Z)-1-(1,3-benzothiazol-2-yl)-4-{1-[(4-chlorophenyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate;methyl [(4E)-1-(1,3-benzothiazol-2-yl)-4-{1-[(4-chlorophenyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate;methyl 2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-[(4-chlorophenyl)amino]ethylidene]-5-oxidanylidene-pyrazol-3-yl]ethanoate
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CAS No:
methyl 2-[2-(1,3-benzothiazol-2-yl)-4-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-3-oxo-1H-pyrazol-5-yl]acetate Basic Attributes
440.9 g/mol
440.0709893 g/mol
Computed Properties
Molecular Weight:440.9
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:440.0709893
Monoisotopic Mass:440.0709893
Topological Polar Surface Area:112
Heavy Atom Count:30
Complexity:751
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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