4-bromo-2-(piperidine-1-carbothioyl)phenyl 2,4-dinitrobenzoate
Chemical Structure Depiction of
4-bromo-2-(piperidine-1-carbothioyl)phenyl 2,4-dinitrobenzoate
4-bromo-2-(piperidine-1-carbothioyl)phenyl 2,4-dinitrobenzoate
Compound characteristics
| Compound ID: | 3405-0101 |
| Compound Name: | 4-bromo-2-(piperidine-1-carbothioyl)phenyl 2,4-dinitrobenzoate |
| Molecular Weight: | 494.32 |
| Molecular Formula: | C19 H16 Br N3 O6 S |
| Smiles: | C1CCN(CC1)C(c1cc(ccc1OC(c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O)[Br])=S |
| Stereo: | ACHIRAL |
| logP: | 5.2115 |
| logD: | 5.2115 |
| logSw: | -5.3777 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 89.113 |
| InChI Key: | HLTUEVQBDVNCRJ-UHFFFAOYSA-N |