3-{[2-(2-chloroanilino)-4-oxo-1,3-thiazol-5(4H)-ylidene]methyl}benzoic acid
Chemical Structure Depiction of
3-{[2-(2-chloroanilino)-4-oxo-1,3-thiazol-5(4H)-ylidene]methyl}benzoic acid
3-{[2-(2-chloroanilino)-4-oxo-1,3-thiazol-5(4H)-ylidene]methyl}benzoic acid
Compound characteristics
| Compound ID: | 4590-0261 |
| Compound Name: | 3-{[2-(2-chloroanilino)-4-oxo-1,3-thiazol-5(4H)-ylidene]methyl}benzoic acid |
| Molecular Weight: | 358.8 |
| Molecular Formula: | C17 H11 Cl N2 O3 S |
| Smiles: | C(=C1/C(N=C(Nc2ccccc2[Cl])S1)=O)/c1cccc(c1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9813 |
| logD: | 0.8034 |
| logSw: | -4.2156 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.335 |
| InChI Key: | YDLJPHPKRGHXSO-UHFFFAOYSA-N |