2-{[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
2-{[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V010-1448 |
| Compound Name: | 2-{[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 379.48 |
| Molecular Formula: | C20 H21 N5 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(c2cccnc2)nnc1SCC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7743 |
| logD: | 2.7701 |
| logSw: | -2.6058 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.989 |
| InChI Key: | JKZWNEHUZWMJCT-UHFFFAOYSA-N |