4-bromo-2-(piperidine-1-carbothioyl)phenyl 4-methyl-3,5-dinitrobenzoate
Chemical Structure Depiction of
4-bromo-2-(piperidine-1-carbothioyl)phenyl 4-methyl-3,5-dinitrobenzoate
4-bromo-2-(piperidine-1-carbothioyl)phenyl 4-methyl-3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 3405-0109 |
| Compound Name: | 4-bromo-2-(piperidine-1-carbothioyl)phenyl 4-methyl-3,5-dinitrobenzoate |
| Molecular Weight: | 508.35 |
| Molecular Formula: | C20 H18 Br N3 O6 S |
| Smiles: | Cc1c(cc(cc1[N+]([O-])=O)C(=O)Oc1ccc(cc1C(N1CCCCC1)=S)[Br])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8483 |
| logD: | 4.8483 |
| logSw: | -4.7111 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 88.813 |
| InChI Key: | QAKYOXKYSJBVMO-UHFFFAOYSA-N |