2-(piperidine-1-carbothioyl)phenyl 4-methyl-3,5-dinitrobenzoate
Chemical Structure Depiction of
2-(piperidine-1-carbothioyl)phenyl 4-methyl-3,5-dinitrobenzoate
2-(piperidine-1-carbothioyl)phenyl 4-methyl-3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 8008-7378 |
| Compound Name: | 2-(piperidine-1-carbothioyl)phenyl 4-methyl-3,5-dinitrobenzoate |
| Molecular Weight: | 429.45 |
| Molecular Formula: | C20 H19 N3 O6 S |
| Smiles: | Cc1c(cc(cc1[N+]([O-])=O)C(=O)Oc1ccccc1C(N1CCCCC1)=S)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9525 |
| logD: | 3.9525 |
| logSw: | -4.0847 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 88.813 |
| InChI Key: | NRUKEWSKFUJPRE-UHFFFAOYSA-N |