2-(piperidine-1-carbothioyl)phenyl 3-nitrobenzoate
Chemical Structure Depiction of
2-(piperidine-1-carbothioyl)phenyl 3-nitrobenzoate
2-(piperidine-1-carbothioyl)phenyl 3-nitrobenzoate
Compound characteristics
| Compound ID: | 3405-0170 |
| Compound Name: | 2-(piperidine-1-carbothioyl)phenyl 3-nitrobenzoate |
| Molecular Weight: | 370.43 |
| Molecular Formula: | C19 H18 N2 O4 S |
| Smiles: | C1CCN(CC1)C(c1ccccc1OC(c1cccc(c1)[N+]([O-])=O)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 4.2514 |
| logD: | 4.2514 |
| logSw: | -4.3598 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 56.033 |
| InChI Key: | XBLRGNNCXYRALM-UHFFFAOYSA-N |