3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(naphthalen-1-yl)methyl]propanamide
Chemical Structure Depiction of
3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(naphthalen-1-yl)methyl]propanamide
3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(naphthalen-1-yl)methyl]propanamide
Compound characteristics
| Compound ID: | V002-5041 |
| Compound Name: | 3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(naphthalen-1-yl)methyl]propanamide |
| Molecular Weight: | 497.64 |
| Molecular Formula: | C34 H31 N3 O |
| Smiles: | Cc1ccc(c(C)c1)c1ccc(CCC(NCc2cccc3ccccc23)=O)n1c1ccc(CC#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.939 |
| logD: | 6.939 |
| logSw: | -6.6699 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.816 |
| InChI Key: | REVJIQQAQNBILS-UHFFFAOYSA-N |