2-ethoxy-4-(piperidine-1-carbothioyl)phenyl 4-methyl-3,5-dinitrobenzoate
Chemical Structure Depiction of
2-ethoxy-4-(piperidine-1-carbothioyl)phenyl 4-methyl-3,5-dinitrobenzoate
2-ethoxy-4-(piperidine-1-carbothioyl)phenyl 4-methyl-3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 3405-0059 |
| Compound Name: | 2-ethoxy-4-(piperidine-1-carbothioyl)phenyl 4-methyl-3,5-dinitrobenzoate |
| Molecular Weight: | 473.5 |
| Molecular Formula: | C22 H23 N3 O7 S |
| Smiles: | CCOc1cc(ccc1OC(c1cc(c(C)c(c1)[N+]([O-])=O)[N+]([O-])=O)=O)C(N1CCCCC1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.158 |
| logD: | 4.158 |
| logSw: | -4.3288 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 96.023 |
| InChI Key: | GNWCIOGDFYNJEW-UHFFFAOYSA-N |