3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[2-(thiophen-2-yl)ethyl]propanamide
Chemical Structure Depiction of
3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[2-(thiophen-2-yl)ethyl]propanamide
3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[2-(thiophen-2-yl)ethyl]propanamide
Compound characteristics
| Compound ID: | V008-2234 |
| Compound Name: | 3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[2-(thiophen-2-yl)ethyl]propanamide |
| Molecular Weight: | 467.63 |
| Molecular Formula: | C29 H29 N3 O S |
| Smiles: | Cc1ccc(c(C)c1)c1ccc(CCC(NCCc2cccs2)=O)n1c1ccc(CC#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3549 |
| logD: | 5.3549 |
| logSw: | -5.2213 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.947 |
| InChI Key: | ATYQFUPYKXNGNT-UHFFFAOYSA-N |