4-[1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]morpholine
Chemical Structure Depiction of
4-[1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]morpholine
4-[1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]morpholine
Compound characteristics
| Compound ID: | 0051-4530 |
| Compound Name: | 4-[1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]morpholine |
| Molecular Weight: | 409.72 |
| Molecular Formula: | C15 H15 Cl3 N2 O3 S |
| Smiles: | C1COCCN1/C(=C(\C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6364 |
| logD: | 4.6364 |
| logSw: | -4.8502 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.208 |
| InChI Key: | ACJARRGYHWAVBH-UHFFFAOYSA-N |