4-{[(3-methylbutyl)({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]methyl}benzonitrile
Chemical Structure Depiction of
4-{[(3-methylbutyl)({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]methyl}benzonitrile
4-{[(3-methylbutyl)({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]methyl}benzonitrile
Compound characteristics
| Compound ID: | V002-1931 |
| Compound Name: | 4-{[(3-methylbutyl)({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]methyl}benzonitrile |
| Molecular Weight: | 385.55 |
| Molecular Formula: | C26 H31 N3 |
| Salt: | not_available |
| Smiles: | CC(C)CCN(Cc1ccc(C#N)cc1)Cc1cccn1Cc1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.0204 |
| logD: | 5.9731 |
| logSw: | -5.6269 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 23.0551 |
| InChI Key: | YVPYFGQJJWQSCF-UHFFFAOYSA-N |