O-{4-[(3-nitrophenyl)carbamoyl]phenyl} dimethylcarbamothioate
Chemical Structure Depiction of
O-{4-[(3-nitrophenyl)carbamoyl]phenyl} dimethylcarbamothioate
O-{4-[(3-nitrophenyl)carbamoyl]phenyl} dimethylcarbamothioate
Compound characteristics
| Compound ID: | 8005-5451 |
| Compound Name: | O-{4-[(3-nitrophenyl)carbamoyl]phenyl} dimethylcarbamothioate |
| Molecular Weight: | 345.37 |
| Molecular Formula: | C16 H15 N3 O4 S |
| Smiles: | CN(C)C(Oc1ccc(cc1)C(Nc1cccc(c1)[N+]([O-])=O)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 3.2125 |
| logD: | 3.1988 |
| logSw: | -3.7658 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.541 |
| InChI Key: | FPRCTNRNTVMCBZ-UHFFFAOYSA-N |