2,6-dimethoxy-4-(piperidine-1-carbothioyl)phenyl 2,4-dinitrobenzoate
Chemical Structure Depiction of
2,6-dimethoxy-4-(piperidine-1-carbothioyl)phenyl 2,4-dinitrobenzoate
2,6-dimethoxy-4-(piperidine-1-carbothioyl)phenyl 2,4-dinitrobenzoate
Compound characteristics
| Compound ID: | 3405-0072 |
| Compound Name: | 2,6-dimethoxy-4-(piperidine-1-carbothioyl)phenyl 2,4-dinitrobenzoate |
| Molecular Weight: | 475.48 |
| Molecular Formula: | C21 H21 N3 O8 S |
| Smiles: | COc1cc(cc(c1OC(c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O)OC)C(N1CCCCC1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.2432 |
| logD: | 4.2432 |
| logSw: | -4.4135 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 104.461 |
| InChI Key: | XWTSMLHYVFUCIF-UHFFFAOYSA-N |