(4-{2-(2,4-dimethylphenyl)-5-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1H-pyrrol-1-yl}phenyl)acetonitrile
Chemical Structure Depiction of
(4-{2-(2,4-dimethylphenyl)-5-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1H-pyrrol-1-yl}phenyl)acetonitrile
(4-{2-(2,4-dimethylphenyl)-5-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1H-pyrrol-1-yl}phenyl)acetonitrile
Compound characteristics
| Compound ID: | V009-6775 |
| Compound Name: | (4-{2-(2,4-dimethylphenyl)-5-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1H-pyrrol-1-yl}phenyl)acetonitrile |
| Molecular Weight: | 439.6 |
| Molecular Formula: | C29 H33 N3 O |
| Smiles: | CC1CCCN(C1)C(CCc1ccc(c2ccc(C)cc2C)n1c1ccc(CC#N)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5807 |
| logD: | 5.5807 |
| logSw: | -5.273 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 34.942 |
| InChI Key: | GQJFOHAWFTVEQG-QFIPXVFZSA-N |