2-methoxy-4-(piperidine-1-carbothioyl)phenyl 4-methyl-3,5-dinitrobenzoate
Chemical Structure Depiction of
2-methoxy-4-(piperidine-1-carbothioyl)phenyl 4-methyl-3,5-dinitrobenzoate
2-methoxy-4-(piperidine-1-carbothioyl)phenyl 4-methyl-3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 3405-0038 |
| Compound Name: | 2-methoxy-4-(piperidine-1-carbothioyl)phenyl 4-methyl-3,5-dinitrobenzoate |
| Molecular Weight: | 459.48 |
| Molecular Formula: | C21 H21 N3 O7 S |
| Smiles: | Cc1c(cc(cc1[N+]([O-])=O)C(=O)Oc1ccc(cc1OC)C(N1CCCCC1)=S)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0123 |
| logD: | 4.0123 |
| logSw: | -4.3338 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 96.443 |
| InChI Key: | BKINFCBNJOYSMB-UHFFFAOYSA-N |