{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}(1-ethyl-2-methyl-5-phenyl-1H-pyrrol-3-yl)methanone
Chemical Structure Depiction of
{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}(1-ethyl-2-methyl-5-phenyl-1H-pyrrol-3-yl)methanone
{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}(1-ethyl-2-methyl-5-phenyl-1H-pyrrol-3-yl)methanone
Compound characteristics
| Compound ID: | T501-1370 |
| Compound Name: | {3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}(1-ethyl-2-methyl-5-phenyl-1H-pyrrol-3-yl)methanone |
| Molecular Weight: | 467.61 |
| Molecular Formula: | C29 H33 N5 O |
| Smiles: | CCn1c(cc(C(N2CCCC(Cc3nncn3Cc3ccccc3)C2)=O)c1C)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6565 |
| logD: | 4.6565 |
| logSw: | -4.5594 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.557 |
| InChI Key: | MFWFOTZURAVMIR-XMMPIXPASA-N |