1-(benzylsulfanyl)-4-bromo-3,4-dichloro-N,N-diethyl-2-nitrobuta-1,3-dien-1-amine
Chemical Structure Depiction of
1-(benzylsulfanyl)-4-bromo-3,4-dichloro-N,N-diethyl-2-nitrobuta-1,3-dien-1-amine
1-(benzylsulfanyl)-4-bromo-3,4-dichloro-N,N-diethyl-2-nitrobuta-1,3-dien-1-amine
Compound characteristics
| Compound ID: | 0819-0645 |
| Compound Name: | 1-(benzylsulfanyl)-4-bromo-3,4-dichloro-N,N-diethyl-2-nitrobuta-1,3-dien-1-amine |
| Molecular Weight: | 440.18 |
| Molecular Formula: | C15 H17 Br Cl2 N2 O2 S |
| Smiles: | CCN(CC)/C(=C(/C(=C(/[Cl])[Br])[Cl])[N+]([O-])=O)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5408 |
| logD: | 5.5408 |
| logSw: | -5.929 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.583 |
| InChI Key: | YXWIIVPAAPMABR-UHFFFAOYSA-N |