N-benzyl-3,4,4-trichloro-1-[(4-methylphenyl)sulfanyl]-2-nitrobuta-1,3-dien-1-amine
Chemical Structure Depiction of
N-benzyl-3,4,4-trichloro-1-[(4-methylphenyl)sulfanyl]-2-nitrobuta-1,3-dien-1-amine
N-benzyl-3,4,4-trichloro-1-[(4-methylphenyl)sulfanyl]-2-nitrobuta-1,3-dien-1-amine
Compound characteristics
| Compound ID: | 4872-0259 |
| Compound Name: | N-benzyl-3,4,4-trichloro-1-[(4-methylphenyl)sulfanyl]-2-nitrobuta-1,3-dien-1-amine |
| Molecular Weight: | 429.75 |
| Molecular Formula: | C18 H15 Cl3 N2 O2 S |
| Smiles: | Cc1ccc(cc1)SC(=C(/C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)\NCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.6351 |
| logD: | 6.2113 |
| logSw: | -6.3728 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.811 |
| InChI Key: | WETBORZAKFVTOV-UHFFFAOYSA-N |