2-{[benzyl({1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]methyl}benzonitrile
Chemical Structure Depiction of
2-{[benzyl({1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]methyl}benzonitrile
2-{[benzyl({1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]methyl}benzonitrile
Compound characteristics
| Compound ID: | V026-2455 |
| Compound Name: | 2-{[benzyl({1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]methyl}benzonitrile |
| Molecular Weight: | 405.54 |
| Molecular Formula: | C28 H27 N3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cn2cccc2CN(Cc2ccccc2)Cc2ccccc2C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.7831 |
| logD: | 5.7815 |
| logSw: | -5.7589 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 22.8052 |
| InChI Key: | KPCKZTXDUXOMBM-UHFFFAOYSA-N |