2-ethoxy-4-(piperidine-1-carbothioyl)phenyl 4-nitrobenzoate
Chemical Structure Depiction of
2-ethoxy-4-(piperidine-1-carbothioyl)phenyl 4-nitrobenzoate
2-ethoxy-4-(piperidine-1-carbothioyl)phenyl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 3405-0052 |
| Compound Name: | 2-ethoxy-4-(piperidine-1-carbothioyl)phenyl 4-nitrobenzoate |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C21 H22 N2 O5 S |
| Smiles: | CCOc1cc(ccc1OC(c1ccc(cc1)[N+]([O-])=O)=O)C(N1CCCCC1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.5569 |
| logD: | 4.5569 |
| logSw: | -4.4483 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 63.243 |
| InChI Key: | KAUGMVNLIHSBIB-UHFFFAOYSA-N |