2-ethoxy-4-(piperidine-1-carbothioyl)phenyl 2,4-dinitrobenzoate
Chemical Structure Depiction of
2-ethoxy-4-(piperidine-1-carbothioyl)phenyl 2,4-dinitrobenzoate
2-ethoxy-4-(piperidine-1-carbothioyl)phenyl 2,4-dinitrobenzoate
Compound characteristics
| Compound ID: | 3405-0051 |
| Compound Name: | 2-ethoxy-4-(piperidine-1-carbothioyl)phenyl 2,4-dinitrobenzoate |
| Molecular Weight: | 459.48 |
| Molecular Formula: | C21 H21 N3 O7 S |
| Smiles: | CCOc1cc(ccc1OC(c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O)C(N1CCCCC1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.5211 |
| logD: | 4.5211 |
| logSw: | -4.3859 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 96.324 |
| InChI Key: | AIGNYHZHYMVBDN-UHFFFAOYSA-N |