N,N-dibutyl-3,4,4-trichloro-1-[(4-methylphenyl)sulfanyl]-2-nitrobuta-1,3-dien-1-amine
Chemical Structure Depiction of
N,N-dibutyl-3,4,4-trichloro-1-[(4-methylphenyl)sulfanyl]-2-nitrobuta-1,3-dien-1-amine
N,N-dibutyl-3,4,4-trichloro-1-[(4-methylphenyl)sulfanyl]-2-nitrobuta-1,3-dien-1-amine
Compound characteristics
| Compound ID: | 4872-0214 |
| Compound Name: | N,N-dibutyl-3,4,4-trichloro-1-[(4-methylphenyl)sulfanyl]-2-nitrobuta-1,3-dien-1-amine |
| Molecular Weight: | 451.84 |
| Molecular Formula: | C19 H25 Cl3 N2 O2 S |
| Smiles: | CCCCN(CCCC)/C(=C(/C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)Sc1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 8.4815 |
| logD: | 8.4815 |
| logSw: | -6.645 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.09 |
| InChI Key: | POYFXQMOZCRVEV-UHFFFAOYSA-N |