N-[1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]-2,4-dimethylaniline
Chemical Structure Depiction of
N-[1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]-2,4-dimethylaniline
N-[1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]-2,4-dimethylaniline
Compound characteristics
| Compound ID: | 0250-0055 |
| Compound Name: | N-[1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]-2,4-dimethylaniline |
| Molecular Weight: | 443.78 |
| Molecular Formula: | C19 H17 Cl3 N2 O2 S |
| Smiles: | Cc1ccc(c(C)c1)N/C(=C(/C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 7.0327 |
| logD: | 6.3029 |
| logSw: | -6.3616 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.791 |
| InChI Key: | ZWXCBAJPUCPGOR-UHFFFAOYSA-N |