2-({2-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbonyl]phenyl}sulfanyl)benzonitrile
Chemical Structure Depiction of
2-({2-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbonyl]phenyl}sulfanyl)benzonitrile
2-({2-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbonyl]phenyl}sulfanyl)benzonitrile
Compound characteristics
| Compound ID: | 8018-0399 |
| Compound Name: | 2-({2-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbonyl]phenyl}sulfanyl)benzonitrile |
| Molecular Weight: | 474.54 |
| Molecular Formula: | C25 H22 N4 O4 S |
| Smiles: | COc1ccc(c(c1)[N+]([O-])=O)N1CCN(CC1)C(c1ccccc1Sc1ccccc1C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7147 |
| logD: | 4.7147 |
| logSw: | -4.5299 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.255 |
| InChI Key: | RZNNTHCKPHVOLC-UHFFFAOYSA-N |