4-({[3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid
Chemical Structure Depiction of
4-({[3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid
4-({[3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid
Compound characteristics
| Compound ID: | 5609-0088 |
| Compound Name: | 4-({[3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid |
| Molecular Weight: | 360.82 |
| Molecular Formula: | C17 H13 Cl N2 O3 S |
| Smiles: | C(=C/c1ccc(cc1)[Cl])\C(NC(Nc1ccc(cc1)C(O)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3693 |
| logD: | 1.9741 |
| logSw: | -4.839 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.435 |
| InChI Key: | UPLTWLCMPVEQHN-UHFFFAOYSA-N |