4-methoxy-3-[({3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]benzoic acid
Chemical Structure Depiction of
4-methoxy-3-[({3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]benzoic acid
4-methoxy-3-[({3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]benzoic acid
Compound characteristics
| Compound ID: | 5609-0127 |
| Compound Name: | 4-methoxy-3-[({3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]benzoic acid |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C21 H22 N2 O4 S |
| Smiles: | CC(C)c1ccc(/C=C/C(NC(Nc2cc(ccc2OC)C(O)=O)=S)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2068 |
| logD: | 3.191 |
| logSw: | -4.9534 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.367 |
| InChI Key: | ZJHNIKZTHFWZRG-UHFFFAOYSA-N |