2-{3,4,4-trichloro-1-[(4-methylphenyl)sulfanyl]-2-nitrobuta-1,3-dien-1-yl}-1,2,3,4-tetrahydroisoquinoline
Chemical Structure Depiction of
2-{3,4,4-trichloro-1-[(4-methylphenyl)sulfanyl]-2-nitrobuta-1,3-dien-1-yl}-1,2,3,4-tetrahydroisoquinoline
2-{3,4,4-trichloro-1-[(4-methylphenyl)sulfanyl]-2-nitrobuta-1,3-dien-1-yl}-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
| Compound ID: | 4872-0704 |
| Compound Name: | 2-{3,4,4-trichloro-1-[(4-methylphenyl)sulfanyl]-2-nitrobuta-1,3-dien-1-yl}-1,2,3,4-tetrahydroisoquinoline |
| Molecular Weight: | 455.79 |
| Molecular Formula: | C20 H17 Cl3 N2 O2 S |
| Smiles: | Cc1ccc(cc1)SC(=C(C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)N1CCc2ccccc2C1 |
| Stereo: | ACHIRAL |
| logP: | 7.444 |
| logD: | 7.444 |
| logSw: | -6.4862 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.961 |
| InChI Key: | MWUNHYWVLHJBRH-UHFFFAOYSA-N |