{4-[2-(2,4-dimethylphenyl)-5-{3-[4-(2-methylpropyl)piperazin-1-yl]-3-oxopropyl}-1H-pyrrol-1-yl]phenyl}acetonitrile
Chemical Structure Depiction of
{4-[2-(2,4-dimethylphenyl)-5-{3-[4-(2-methylpropyl)piperazin-1-yl]-3-oxopropyl}-1H-pyrrol-1-yl]phenyl}acetonitrile
{4-[2-(2,4-dimethylphenyl)-5-{3-[4-(2-methylpropyl)piperazin-1-yl]-3-oxopropyl}-1H-pyrrol-1-yl]phenyl}acetonitrile
Compound characteristics
| Compound ID: | V007-6997 |
| Compound Name: | {4-[2-(2,4-dimethylphenyl)-5-{3-[4-(2-methylpropyl)piperazin-1-yl]-3-oxopropyl}-1H-pyrrol-1-yl]phenyl}acetonitrile |
| Molecular Weight: | 482.67 |
| Molecular Formula: | C31 H38 N4 O |
| Smiles: | CC(C)CN1CCN(CC1)C(CCc1ccc(c2ccc(C)cc2C)n1c1ccc(CC#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.308 |
| logD: | 4.9678 |
| logSw: | -5.1929 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.82 |
| InChI Key: | CXYVBKOUHNTAHN-UHFFFAOYSA-N |