{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 |