(4-{2-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-1-yl}phenyl)acetonitrile
Chemical Structure Depiction of
(4-{2-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-1-yl}phenyl)acetonitrile
(4-{2-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-1-yl}phenyl)acetonitrile
Compound characteristics
| Compound ID: | V031-0847 |
| Compound Name: | (4-{2-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-1-yl}phenyl)acetonitrile |
| Molecular Weight: | 473.62 |
| Molecular Formula: | C32 H31 N3 O |
| Salt: | not_available |
| Smiles: | Cc1ccc(c(C)c1)c1ccc(CCC(N2CCc3ccccc3C2)=O)n1c1ccc(CC#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.1715 |
| logD: | 6.1715 |
| logSw: | -5.4548 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 34.67 |
| InChI Key: | AZRVOUOCFDCDOK-UHFFFAOYSA-N |