{4-[(4-bromophenyl)sulfanyl]-3-nitrophenyl}{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}methanone
Chemical Structure Depiction of
{4-[(4-bromophenyl)sulfanyl]-3-nitrophenyl}{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}methanone
{4-[(4-bromophenyl)sulfanyl]-3-nitrophenyl}{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}methanone
Compound characteristics
Compound ID: | K781-2361 |
Compound Name: | {4-[(4-bromophenyl)sulfanyl]-3-nitrophenyl}{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}methanone |
Molecular Weight: | 622.97 |
Molecular Formula: | C30 H25 Br Cl N3 O3 S |
Smiles: | C1CN(CCN1C(c1ccccc1)c1ccc(cc1)[Cl])C(c1ccc(c(c1)[N+]([O-])=O)Sc1ccc(cc1)[Br])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 8.0556 |
logD: | 8.0551 |
logSw: | -6.6678 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 52.257 |
InChI Key: | GNTSODVFCKWKHV-LJAQVGFWSA-N |