4-chloro-N-{3,4,4-trichloro-1-[(4-methylphenyl)sulfanyl]-2-nitrobuta-1,3-dien-1-yl}aniline
Chemical Structure Depiction of
4-chloro-N-{3,4,4-trichloro-1-[(4-methylphenyl)sulfanyl]-2-nitrobuta-1,3-dien-1-yl}aniline
4-chloro-N-{3,4,4-trichloro-1-[(4-methylphenyl)sulfanyl]-2-nitrobuta-1,3-dien-1-yl}aniline
Compound characteristics
| Compound ID: | 4872-0212 |
| Compound Name: | 4-chloro-N-{3,4,4-trichloro-1-[(4-methylphenyl)sulfanyl]-2-nitrobuta-1,3-dien-1-yl}aniline |
| Molecular Weight: | 450.17 |
| Molecular Formula: | C17 H12 Cl4 N2 O2 S |
| Smiles: | Cc1ccc(cc1)SC(=C(/C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)\Nc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.73 |
| logD: | 5.2258 |
| logSw: | -6.7352 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.489 |
| InChI Key: | KSXCMBSAJFMBFF-UHFFFAOYSA-N |