2,6-dimethoxy-4-(piperidine-1-carbothioyl)phenyl 3-nitrobenzoate
Chemical Structure Depiction of
2,6-dimethoxy-4-(piperidine-1-carbothioyl)phenyl 3-nitrobenzoate
2,6-dimethoxy-4-(piperidine-1-carbothioyl)phenyl 3-nitrobenzoate
Compound characteristics
| Compound ID: | 3405-0075 |
| Compound Name: | 2,6-dimethoxy-4-(piperidine-1-carbothioyl)phenyl 3-nitrobenzoate |
| Molecular Weight: | 430.48 |
| Molecular Formula: | C21 H22 N2 O6 S |
| Smiles: | COc1cc(cc(c1OC(c1cccc(c1)[N+]([O-])=O)=O)OC)C(N1CCCCC1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.179 |
| logD: | 4.179 |
| logSw: | -4.4153 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 71.38 |
| InChI Key: | MSWQEGUAPYKLGT-UHFFFAOYSA-N |