2-{4-[(4-bromophenyl)(phenyl)methyl]piperazine-1-sulfonyl}-4-methylbenzonitrile
Chemical Structure Depiction of
2-{4-[(4-bromophenyl)(phenyl)methyl]piperazine-1-sulfonyl}-4-methylbenzonitrile
2-{4-[(4-bromophenyl)(phenyl)methyl]piperazine-1-sulfonyl}-4-methylbenzonitrile
Compound characteristics
| Compound ID: | V008-3054 |
| Compound Name: | 2-{4-[(4-bromophenyl)(phenyl)methyl]piperazine-1-sulfonyl}-4-methylbenzonitrile |
| Molecular Weight: | 510.45 |
| Molecular Formula: | C25 H24 Br N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(C#N)c(c1)S(N1CCN(CC1)C(c1ccccc1)c1ccc(cc1)[Br])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5275 |
| logD: | 5.5273 |
| logSw: | -5.6108 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.567 |
| InChI Key: | CIXMZEADOXLRNQ-VWLOTQADSA-N |