N-[(1-oxo-1,3-dihydro-2-benzofuran-5-yl)carbamothioyl]-3-[4-(propan-2-yl)phenyl]prop-2-enamide
Chemical Structure Depiction of
N-[(1-oxo-1,3-dihydro-2-benzofuran-5-yl)carbamothioyl]-3-[4-(propan-2-yl)phenyl]prop-2-enamide
N-[(1-oxo-1,3-dihydro-2-benzofuran-5-yl)carbamothioyl]-3-[4-(propan-2-yl)phenyl]prop-2-enamide
Compound characteristics
| Compound ID: | 5646-1675 |
| Compound Name: | N-[(1-oxo-1,3-dihydro-2-benzofuran-5-yl)carbamothioyl]-3-[4-(propan-2-yl)phenyl]prop-2-enamide |
| Molecular Weight: | 380.46 |
| Molecular Formula: | C21 H20 N2 O3 S |
| Smiles: | CC(C)c1ccc(/C=C/C(NC(Nc2ccc3C(=O)OCc3c2)=S)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4533 |
| logD: | 4.4526 |
| logSw: | -4.3636 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.599 |
| InChI Key: | CVAMADPTCARUIG-UHFFFAOYSA-N |