2-methoxy-4-(piperidine-1-carbothioyl)phenyl 2,4-dinitrobenzoate
Chemical Structure Depiction of
2-methoxy-4-(piperidine-1-carbothioyl)phenyl 2,4-dinitrobenzoate
2-methoxy-4-(piperidine-1-carbothioyl)phenyl 2,4-dinitrobenzoate
Compound characteristics
| Compound ID: | 3405-0032 |
| Compound Name: | 2-methoxy-4-(piperidine-1-carbothioyl)phenyl 2,4-dinitrobenzoate |
| Molecular Weight: | 445.45 |
| Molecular Formula: | C20 H19 N3 O7 S |
| Smiles: | COc1cc(ccc1OC(c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O)C(N1CCCCC1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.3755 |
| logD: | 4.3755 |
| logSw: | -4.4255 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 96.744 |
| InChI Key: | XUNKUEXQPFNDEL-UHFFFAOYSA-N |