2,2-dimethyl-N-[(2-nitrophenyl)carbamothioyl]propanamide
Chemical Structure Depiction of
2,2-dimethyl-N-[(2-nitrophenyl)carbamothioyl]propanamide
2,2-dimethyl-N-[(2-nitrophenyl)carbamothioyl]propanamide
Compound characteristics
| Compound ID: | 1683-1082 |
| Compound Name: | 2,2-dimethyl-N-[(2-nitrophenyl)carbamothioyl]propanamide |
| Molecular Weight: | 281.33 |
| Molecular Formula: | C12 H15 N3 O3 S |
| Smiles: | CC(C)(C)C(NC(Nc1ccccc1[N+]([O-])=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9818 |
| logD: | 2.8039 |
| logSw: | -3.5725 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.894 |
| InChI Key: | VZYNWSUMPDNIOF-UHFFFAOYSA-N |