1-(azepan-1-yl)-2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
1-(azepan-1-yl)-2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | S322-0240 |
| Compound Name: | 1-(azepan-1-yl)-2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 589.71 |
| Molecular Formula: | C30 H28 F N5 O3 S2 |
| Smiles: | C1CCCN(CC1)C(CSc1nnc(c2cn(c3ccccc23)S(c2ccccc2)(=O)=O)n1c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4105 |
| logD: | 5.4105 |
| logSw: | -5.7286 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.429 |
| InChI Key: | DOLOPELXISYDHD-UHFFFAOYSA-N |