(4-ethylpiperazin-1-yl)[2-({[4-(4-fluorophenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Chemical Structure Depiction of
(4-ethylpiperazin-1-yl)[2-({[4-(4-fluorophenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
(4-ethylpiperazin-1-yl)[2-({[4-(4-fluorophenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V026-7466 |
| Compound Name: | (4-ethylpiperazin-1-yl)[2-({[4-(4-fluorophenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone |
| Molecular Weight: | 467.61 |
| Molecular Formula: | C25 H30 F N5 O S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(c1ccccc1CSc1nnc(C(C)C)n1c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0116 |
| logD: | 3.8354 |
| logSw: | -4.0758 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.169 |
| InChI Key: | VQDFDNIKJXIWKN-UHFFFAOYSA-N |