3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(2-ethoxyphenyl)methyl]propanamide
Chemical Structure Depiction of
3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(2-ethoxyphenyl)methyl]propanamide
3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(2-ethoxyphenyl)methyl]propanamide
Compound characteristics
| Compound ID: | V008-4071 |
| Compound Name: | 3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(2-ethoxyphenyl)methyl]propanamide |
| Molecular Weight: | 491.63 |
| Molecular Formula: | C32 H33 N3 O2 |
| Smiles: | CCOc1ccccc1CNC(CCc1ccc(c2ccc(C)cc2C)n1c1ccc(CC#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2305 |
| logD: | 6.2305 |
| logSw: | -5.4093 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.298 |
| InChI Key: | MBCBFJXGPWSNAA-UHFFFAOYSA-N |