3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[2-(4-methoxyphenyl)ethyl]propanamide
Chemical Structure Depiction of
3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[2-(4-methoxyphenyl)ethyl]propanamide
3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[2-(4-methoxyphenyl)ethyl]propanamide
Compound characteristics
| Compound ID: | V008-4081 |
| Compound Name: | 3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[2-(4-methoxyphenyl)ethyl]propanamide |
| Molecular Weight: | 491.63 |
| Molecular Formula: | C32 H33 N3 O2 |
| Smiles: | Cc1ccc(c(C)c1)c1ccc(CCC(NCCc2ccc(cc2)OC)=O)n1c1ccc(CC#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3783 |
| logD: | 5.3783 |
| logSw: | -5.3562 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.472 |
| InChI Key: | OKKRLUZMMBOILJ-UHFFFAOYSA-N |