N-[2-(3-chlorophenyl)ethyl]-3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}propanamide
Chemical Structure Depiction of
N-[2-(3-chlorophenyl)ethyl]-3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}propanamide
N-[2-(3-chlorophenyl)ethyl]-3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}propanamide
Compound characteristics
| Compound ID: | V010-7431 |
| Compound Name: | N-[2-(3-chlorophenyl)ethyl]-3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}propanamide |
| Molecular Weight: | 496.05 |
| Molecular Formula: | C31 H30 Cl N3 O |
| Smiles: | Cc1ccc(c(C)c1)c1ccc(CCC(NCCc2cccc(c2)[Cl])=O)n1c1ccc(CC#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.9954 |
| logD: | 5.9954 |
| logSw: | -5.9411 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.929 |
| InChI Key: | XILCZTMSVBRCJK-UHFFFAOYSA-N |