N-[(3-chlorophenyl)methyl]-3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}propanamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}propanamide
N-[(3-chlorophenyl)methyl]-3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}propanamide
Compound characteristics
| Compound ID: | V008-4146 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}propanamide |
| Molecular Weight: | 482.03 |
| Molecular Formula: | C30 H28 Cl N3 O |
| Smiles: | Cc1ccc(c(C)c1)c1ccc(CCC(NCc2cccc(c2)[Cl])=O)n1c1ccc(CC#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.3185 |
| logD: | 6.3185 |
| logSw: | -6.0236 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.087 |
| InChI Key: | KLVJBSOFRSZQRZ-UHFFFAOYSA-N |