1-[1-(benzylsulfanyl)-4-bromo-3,4-dichloro-2-nitrobuta-1,3-dien-1-yl]piperidine
Chemical Structure Depiction of
1-[1-(benzylsulfanyl)-4-bromo-3,4-dichloro-2-nitrobuta-1,3-dien-1-yl]piperidine
1-[1-(benzylsulfanyl)-4-bromo-3,4-dichloro-2-nitrobuta-1,3-dien-1-yl]piperidine
Compound characteristics
| Compound ID: | 0819-0637 |
| Compound Name: | 1-[1-(benzylsulfanyl)-4-bromo-3,4-dichloro-2-nitrobuta-1,3-dien-1-yl]piperidine |
| Molecular Weight: | 452.2 |
| Molecular Formula: | C16 H17 Br Cl2 N2 O2 S |
| Smiles: | C1CCN(CC1)/C(=C(/C(=C(/[Cl])[Br])[Cl])[N+]([O-])=O)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.7321 |
| logD: | 5.7321 |
| logSw: | -5.9736 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.299 |
| InChI Key: | UXJUOHPLJXFOIT-UHFFFAOYSA-N |