2,6-dimethoxy-4-(piperidine-1-carbothioyl)phenyl 3,5-dinitrobenzoate
Chemical Structure Depiction of
2,6-dimethoxy-4-(piperidine-1-carbothioyl)phenyl 3,5-dinitrobenzoate
2,6-dimethoxy-4-(piperidine-1-carbothioyl)phenyl 3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 3405-0076 |
| Compound Name: | 2,6-dimethoxy-4-(piperidine-1-carbothioyl)phenyl 3,5-dinitrobenzoate |
| Molecular Weight: | 475.48 |
| Molecular Formula: | C21 H21 N3 O8 S |
| Smiles: | COc1cc(cc(c1OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)OC)C(N1CCCCC1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.9685 |
| logD: | 3.9685 |
| logSw: | -4.2028 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 104.762 |
| InChI Key: | LKYJWBVFSPDRSP-UHFFFAOYSA-N |