4-(piperidine-1-carbothioyl)phenyl 3,5-dinitrobenzoate
Chemical Structure Depiction of
4-(piperidine-1-carbothioyl)phenyl 3,5-dinitrobenzoate
4-(piperidine-1-carbothioyl)phenyl 3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 3405-0018 |
| Compound Name: | 4-(piperidine-1-carbothioyl)phenyl 3,5-dinitrobenzoate |
| Molecular Weight: | 415.42 |
| Molecular Formula: | C19 H17 N3 O6 S |
| Smiles: | C1CCN(CC1)C(c1ccc(cc1)OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 4.0999 |
| logD: | 4.0999 |
| logSw: | -4.2778 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 89.328 |
| InChI Key: | HQEKAMYOJNUXFB-UHFFFAOYSA-N |