1-(1H-indol-3-yl)-2-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(1H-indol-3-yl)-2-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(1H-indol-3-yl)-2-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8013-5511 |
| Compound Name: | 1-(1H-indol-3-yl)-2-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 335.39 |
| Molecular Formula: | C17 H13 N5 O S |
| Smiles: | C(C(c1c[nH]c2ccccc12)=O)Sc1nnc(c2ccncc2)[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.2362 |
| logD: | 1.2067 |
| logSw: | -2.7234 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.02 |
| InChI Key: | QZRPJXIITMGODY-UHFFFAOYSA-N |