{4-[(3-chlorophenyl)sulfanyl]-3-nitrophenyl}[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
{4-[(3-chlorophenyl)sulfanyl]-3-nitrophenyl}[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
{4-[(3-chlorophenyl)sulfanyl]-3-nitrophenyl}[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
Compound characteristics
Compound ID: | K781-2343 |
Compound Name: | {4-[(3-chlorophenyl)sulfanyl]-3-nitrophenyl}[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone |
Molecular Weight: | 482 |
Molecular Formula: | C25 H24 Cl N3 O3 S |
Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(c1ccc(c(c1)[N+]([O-])=O)Sc1cccc(c1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 6.5535 |
logD: | 6.5535 |
logSw: | -6.1981 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 52.655 |
InChI Key: | CADMTSAPKWLACN-UHFFFAOYSA-N |