methyl 2-[2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-3-oxo-1H-pyrazol-5-yl]acetate
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methyl 2-[2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-3-oxo-1H-pyrazol-5-yl]acetate
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CAS No:
727370-97-0
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Formula:
C21H19N5O3S
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Chemical Name:
methyl 2-[2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-3-oxo-1H-pyrazol-5-yl]acetate
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Synonyms:
methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-{1-[(pyridin-3-ylmethyl)amino]ethylidene}-4,5-dihydro-1H-pyrazol-3-yl]acetate;methyl ((4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-{1-[(pyridin-3-ylmethyl)amino]ethylidene}-4,5-dihydro-1H-pyrazol-3-yl)acetate;ZINC9060319;STK207124;AKOS002317761;ZINC100190980;MCULE-5324263175;MCULE-8379474415;(Z)-methyl 2-(1-(benzo[d]thiazol-2-yl)-5-oxo-4-(1-((pyridin-3-ylmethyl)amino)ethylidene)-4,5-dihydro-1H-pyrazol-3-yl)acetate;727370-97-0
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CAS No:
methyl 2-[2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-3-oxo-1H-pyrazol-5-yl]acetate Basic Attributes
421.5 g/mol
421.12086066 g/mol
Computed Properties
Molecular Weight:421.5
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:421.12086066
Monoisotopic Mass:421.12086066
Topological Polar Surface Area:125
Heavy Atom Count:30
Complexity:740
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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