Ethyl 2-(2-{[(3-chloroanilino)carbonyl]anilino}-1,3-thiazol-4-yl)benzenecarboxylate
Basic information
- CAS
303150-08-5- Standard SMILES
CCOC(=O)c1ccccc1-c1csc(N(C(=O)Nc2cccc(Cl)c2)c2ccccc2)n1- InChIKey
WELWSYZBUANKBR-UHFFFAOYSA-N- Molecular formula
- C25H20ClN3O3S
- Average molar mass
- 478 g/mol
- Monoisotopic mass
- 477.0913904
Names & identifiers
- Preferred name
- Ethyl 2-(2-{[(3-chloroanilino)carbonyl]anilino}-1,3-thiazol-4-yl)benzenecarboxylate
- IUPAC
- ethyl 2-[2-[N-[(3-chlorophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]benzoate
- English name
- ETHYL 2-(2-([(3-CHLOROANILINO)CARBONYL]ANILINO)-1,3-THIAZOL-4-YL)BENZENECARBOXYLATE
- Molecular formula
- C25H20ClN3O3S
- Molecular weight
- 477.96
Names & synonyms
303150-08-5ethyl 2-(2-{3-phenyl[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)benzoateethyl 2-(2-{[(3-chloroanilino)carbonyl]anilino}-1,3-thiazol-4-yl)benzenecarboxylateethyl 2-[2-[N-[(3-chlorophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]benzoateOprea1_512363AKOS00507728711F-932ethyl2-(2-{3-phenyl[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)benzoateETHYL 2-(2-([(3-CHLOROANILINO)CARBONYL]ANILINO)-1,3-THIAZOL-4-YL)BENZENECARBOXYLATEBenzoic acid, 2-[2-[[[(3-chlorophenyl)amino]carbonyl]phenylamino]-4-thiazolyl]-, ethyl ester
Database identifiers
- CAS
303150-08-5- PubChem CID
- 2766897
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 663
Physicochemical properties
- Density
- 1.368 · 1.368±0.06 g/cm3(Predicted)
- pka
- 12.31 · 12.31±0.70(Predicted)
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Compound notes
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