3-(piperidine-1-carbothioyl)phenyl 2,4-dinitrobenzoate
Chemical Structure Depiction of
3-(piperidine-1-carbothioyl)phenyl 2,4-dinitrobenzoate
3-(piperidine-1-carbothioyl)phenyl 2,4-dinitrobenzoate
Compound characteristics
| Compound ID: | 3405-0145 |
| Compound Name: | 3-(piperidine-1-carbothioyl)phenyl 2,4-dinitrobenzoate |
| Molecular Weight: | 415.42 |
| Molecular Formula: | C19 H17 N3 O6 S |
| Smiles: | C1CCN(CC1)C(c1cccc(c1)OC(c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 4.383 |
| logD: | 4.383 |
| logSw: | -4.3338 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 89.027 |
| InChI Key: | OTRQQIYZUDERCW-UHFFFAOYSA-N |