{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone
Chemical Structure Depiction of
{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone
{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone
Compound characteristics
| Compound ID: | T501-1453 |
| Compound Name: | {1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone |
| Molecular Weight: | 471.58 |
| Molecular Formula: | C28 H30 F N5 O |
| Smiles: | Cc1cc(C(N2CCCC(Cc3nncn3c3ccccc3)C2)=O)c(C)n1Cc1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0793 |
| logD: | 4.0793 |
| logSw: | -4.2534 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 44.262 |
| InChI Key: | YTRRINYRISSEGL-HSZRJFAPSA-N |