3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(oxolan-2-yl)methyl]propanamide
Chemical Structure Depiction of
3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(oxolan-2-yl)methyl]propanamide
3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(oxolan-2-yl)methyl]propanamide
Compound characteristics
| Compound ID: | V010-7411 |
| Compound Name: | 3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(oxolan-2-yl)methyl]propanamide |
| Molecular Weight: | 441.57 |
| Molecular Formula: | C28 H31 N3 O2 |
| Smiles: | Cc1ccc(c(C)c1)c1ccc(CCC(NCC2CCCO2)=O)n1c1ccc(CC#N)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0767 |
| logD: | 4.0767 |
| logSw: | -4.2045 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.742 |
| InChI Key: | IWWXZJRDRTYXTJ-RUZDIDTESA-N |