N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-3-(4-methylphenyl)prop-2-enamide
Chemical Structure Depiction of
N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-3-(4-methylphenyl)prop-2-enamide
N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-3-(4-methylphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | Y512-4349 |
| Compound Name: | N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-3-(4-methylphenyl)prop-2-enamide |
| Molecular Weight: | 369.44 |
| Molecular Formula: | C19 H19 N3 O3 S |
| Smiles: | Cc1ccc(/C=C/C(NC(Nc2c(C)cc(C)cc2[N+]([O-])=O)=S)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.639 |
| logD: | 4.477 |
| logSw: | -4.505 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.71 |
| InChI Key: | XELXDHWPPRQJDF-UHFFFAOYSA-N |