O-{4-[(3-nitrophenyl)carbamoyl]phenyl} (3,4-dimethylphenyl)carbamothioate
Chemical Structure Depiction of
O-{4-[(3-nitrophenyl)carbamoyl]phenyl} (3,4-dimethylphenyl)carbamothioate
O-{4-[(3-nitrophenyl)carbamoyl]phenyl} (3,4-dimethylphenyl)carbamothioate
Compound characteristics
| Compound ID: | 8005-4655 |
| Compound Name: | O-{4-[(3-nitrophenyl)carbamoyl]phenyl} (3,4-dimethylphenyl)carbamothioate |
| Molecular Weight: | 421.47 |
| Molecular Formula: | C22 H19 N3 O4 S |
| Smiles: | Cc1ccc(cc1C)NC(Oc1ccc(cc1)C(Nc1cccc(c1)[N+]([O-])=O)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 5.8585 |
| logD: | 5.8448 |
| logSw: | -5.5329 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.751 |
| InChI Key: | NGTDSUSYIABWMC-UHFFFAOYSA-N |