N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-3-phenylprop-2-enamide
Chemical Structure Depiction of
N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-3-phenylprop-2-enamide
N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-3-phenylprop-2-enamide
Compound characteristics
| Compound ID: | Y512-4677 |
| Compound Name: | N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-3-phenylprop-2-enamide |
| Molecular Weight: | 355.41 |
| Molecular Formula: | C18 H17 N3 O3 S |
| Smiles: | Cc1cc(C)c(c(c1)[N+]([O-])=O)NC(NC(/C=C/c1ccccc1)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 4.22 |
| logD: | 4.058 |
| logSw: | -4.409 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.71 |
| InChI Key: | SUBZQZGATBYLFQ-UHFFFAOYSA-N |