1-(azepan-1-yl)-2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(azepan-1-yl)-2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | G878-0187 |
| Compound Name: | 1-(azepan-1-yl)-2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C24 H24 F N5 O S |
| Smiles: | C1CCCN(CC1)C(CSc1nnc(c2c[nH]c3ccccc23)n1c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7058 |
| logD: | 4.7058 |
| logSw: | -4.5996 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.307 |
| InChI Key: | HHNOXQZOEASWRW-UHFFFAOYSA-N |