4-[({3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]benzoic acid
Chemical Structure Depiction of
4-[({3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]benzoic acid
4-[({3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]benzoic acid
Compound characteristics
| Compound ID: | 5609-0089 |
| Compound Name: | 4-[({3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]benzoic acid |
| Molecular Weight: | 368.45 |
| Molecular Formula: | C20 H20 N2 O3 S |
| Smiles: | CC(C)c1ccc(/C=C/C(NC(Nc2ccc(cc2)C(O)=O)=S)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1128 |
| logD: | 2.7176 |
| logSw: | -4.8476 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.435 |
| InChI Key: | AEDNBNMEZWLFCN-UHFFFAOYSA-N |