2-{[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1H-indol-3-yl)ethan-1-one
Chemical Structure Depiction of
2-{[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1H-indol-3-yl)ethan-1-one
2-{[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1H-indol-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | K822-0115 |
| Compound Name: | 2-{[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1H-indol-3-yl)ethan-1-one |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C24 H19 N5 O S |
| Smiles: | C(c1ccccc1)n1c(c2cccnc2)nnc1SCC(c1c[nH]c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1375 |
| logD: | 4.108 |
| logSw: | -4.1733 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.605 |
| InChI Key: | KXBOFKMGBSTLPM-UHFFFAOYSA-N |