1-benzyl-4-{3,4,4-trichloro-1-[(4-methylphenyl)sulfanyl]-2-nitrobuta-1,3-dien-1-yl}piperazine
Chemical Structure Depiction of
1-benzyl-4-{3,4,4-trichloro-1-[(4-methylphenyl)sulfanyl]-2-nitrobuta-1,3-dien-1-yl}piperazine
1-benzyl-4-{3,4,4-trichloro-1-[(4-methylphenyl)sulfanyl]-2-nitrobuta-1,3-dien-1-yl}piperazine
Compound characteristics
| Compound ID: | 4872-0717 |
| Compound Name: | 1-benzyl-4-{3,4,4-trichloro-1-[(4-methylphenyl)sulfanyl]-2-nitrobuta-1,3-dien-1-yl}piperazine |
| Molecular Weight: | 498.86 |
| Molecular Formula: | C22 H22 Cl3 N3 O2 S |
| Smiles: | Cc1ccc(cc1)SC(=C(\C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)\N1CCN(CC1)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.956 |
| logD: | 6.9106 |
| logSw: | -6.4336 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.84 |
| InChI Key: | DKRMMPKEFZAVKU-UHFFFAOYSA-N |