3-[4-(3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}propanoyl)piperazin-1-yl]propanenitrile
Chemical Structure Depiction of
3-[4-(3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}propanoyl)piperazin-1-yl]propanenitrile
3-[4-(3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}propanoyl)piperazin-1-yl]propanenitrile
Compound characteristics
| Compound ID: | V015-4293 |
| Compound Name: | 3-[4-(3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}propanoyl)piperazin-1-yl]propanenitrile |
| Molecular Weight: | 479.63 |
| Molecular Formula: | C30 H33 N5 O |
| Salt: | not_available |
| Smiles: | Cc1ccc(c(C)c1)c1ccc(CCC(N2CCN(CCC#N)CC2)=O)n1c1ccc(CC#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.689 |
| logD: | 3.6884 |
| logSw: | -3.7985 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 56.29 |
| InChI Key: | ZVOQJISQHSCFAX-UHFFFAOYSA-N |