4-bromo-2-(piperidine-1-carbothioyl)phenyl 3-nitrobenzoate
Chemical Structure Depiction of
4-bromo-2-(piperidine-1-carbothioyl)phenyl 3-nitrobenzoate
4-bromo-2-(piperidine-1-carbothioyl)phenyl 3-nitrobenzoate
Compound characteristics
| Compound ID: | 3405-0106 |
| Compound Name: | 4-bromo-2-(piperidine-1-carbothioyl)phenyl 3-nitrobenzoate |
| Molecular Weight: | 449.32 |
| Molecular Formula: | C19 H17 Br N2 O4 S |
| Smiles: | C1CCN(CC1)C(c1cc(ccc1OC(c1cccc(c1)[N+]([O-])=O)=O)[Br])=S |
| Stereo: | ACHIRAL |
| logP: | 5.1472 |
| logD: | 5.1472 |
| logSw: | -5.2689 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 56.033 |
| InChI Key: | DSJDMXWIGQCMNC-UHFFFAOYSA-N |