4-[1-(benzylsulfanyl)-4-bromo-3,4-dichloro-2-nitrobuta-1,3-dien-1-yl]morpholine
Chemical Structure Depiction of
4-[1-(benzylsulfanyl)-4-bromo-3,4-dichloro-2-nitrobuta-1,3-dien-1-yl]morpholine
4-[1-(benzylsulfanyl)-4-bromo-3,4-dichloro-2-nitrobuta-1,3-dien-1-yl]morpholine
Compound characteristics
| Compound ID: | 0819-0638 |
| Compound Name: | 4-[1-(benzylsulfanyl)-4-bromo-3,4-dichloro-2-nitrobuta-1,3-dien-1-yl]morpholine |
| Molecular Weight: | 454.17 |
| Molecular Formula: | C15 H15 Br Cl2 N2 O3 S |
| Smiles: | C1COCCN1/C(=C(/C(=C(/[Cl])[Br])[Cl])[N+]([O-])=O)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5734 |
| logD: | 4.5734 |
| logSw: | -4.7077 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.208 |
| InChI Key: | MXTLNWMVMIFHMU-UHFFFAOYSA-N |