O-{4-[(3-nitrophenyl)carbamoyl]phenyl} 4-methylpiperidine-1-carbothioate
Chemical Structure Depiction of
O-{4-[(3-nitrophenyl)carbamoyl]phenyl} 4-methylpiperidine-1-carbothioate
O-{4-[(3-nitrophenyl)carbamoyl]phenyl} 4-methylpiperidine-1-carbothioate
Compound characteristics
| Compound ID: | 8005-0292 |
| Compound Name: | O-{4-[(3-nitrophenyl)carbamoyl]phenyl} 4-methylpiperidine-1-carbothioate |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C20 H21 N3 O4 S |
| Smiles: | CC1CCN(CC1)C(Oc1ccc(cc1)C(Nc1cccc(c1)[N+]([O-])=O)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 4.6683 |
| logD: | 4.6546 |
| logSw: | -4.4183 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.189 |
| InChI Key: | UJQQUPDBKKKQAQ-UHFFFAOYSA-N |