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Basic information
- Standard SMILES
CCc1nc(C)c(/C=C(\NC(=O)c2ccc(C(=O)NCc3cccc(O)c3)cc2Cl)C(=O)OC)s1- InChIKey
PCQPRJCDYRONNG-NDENLUEZSA-N- Molecular formula
- C25H24ClN3O5S
- Average molar mass
- 514 g/mol
- Monoisotopic mass
- 513.1125197
Names & identifiers
- Preferred name
- (Z)-2-[[2-chloro-4-[[(3-hydroxybenzyl)amino]carbonyl]benzoyl]amino]-3-(2-ethyl-4-methylthiazole-5-yl)propenoic acid methyl ester
- IUPAC
- methyl (Z)-2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-(2-ethyl-4-methyl-1,3-thiazol-5-yl)prop-2-enoate
Names & synonyms
SCHEMBL7240217PCQPRJCDYRONNG-NDENLUEZSA-N(Z)-2-[[2-chloro-4-[[(3-hydroxybenzyl)amino]carbonyl]benzoyl]amino]-3-(2-ethyl-4-methylthiazole-5-yl)propenoic acid methyl ester
Database identifiers
- PubChem CID
- 59038457
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 797
Related reactions
2 records
Compound notes
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