2-{[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
2-{[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V017-7880 |
| Compound Name: | 2-{[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 392.52 |
| Molecular Formula: | C22 H24 N4 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(Cc2ccccc2)nnc1SCC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8877 |
| logD: | 3.8877 |
| logSw: | -3.8175 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.447 |
| InChI Key: | LQXNPGHLTASECA-UHFFFAOYSA-N |