2-methoxy-4-(piperidine-1-carbothioyl)phenyl 3-nitrobenzoate
Chemical Structure Depiction of
2-methoxy-4-(piperidine-1-carbothioyl)phenyl 3-nitrobenzoate
2-methoxy-4-(piperidine-1-carbothioyl)phenyl 3-nitrobenzoate
Compound characteristics
| Compound ID: | 8008-6743 |
| Compound Name: | 2-methoxy-4-(piperidine-1-carbothioyl)phenyl 3-nitrobenzoate |
| Molecular Weight: | 400.45 |
| Molecular Formula: | C20 H20 N2 O5 S |
| Smiles: | COc1cc(ccc1OC(c1cccc(c1)[N+]([O-])=O)=O)C(N1CCCCC1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.3112 |
| logD: | 4.3112 |
| logSw: | -4.5047 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 63.663 |
| InChI Key: | HTJBSMRDFHZBSM-UHFFFAOYSA-N |