[2-(2,6-dichloroanilino)-2-oxoethyl] 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate
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[2-(2,6-dichloroanilino)-2-oxoethyl] 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate
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CAS No:
731839-49-9
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Formula:
C21H19Cl2N3O4S
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Chemical Name:
[2-(2,6-dichloroanilino)-2-oxoethyl] 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate
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Synonyms:
ZINC3309022;AKOS033453834;MCULE-2935236582;Z15947561;[(2,6-dichlorophenyl)carbamoyl]methyl 3-{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}propanoate;731839-49-9
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CAS No:
[2-(2,6-dichloroanilino)-2-oxoethyl] 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate Basic Attributes
480.4 g/mol
479.0473327 g/mol
Computed Properties
Molecular Weight:480.4
XLogP3:3.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:479.0473327
Monoisotopic Mass:479.0473327
Topological Polar Surface Area:125
Heavy Atom Count:31
Complexity:742
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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cyanomethyl 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate Formula
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