(4-ethylpiperazin-1-yl)[2-({[4-(4-fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Chemical Structure Depiction of
(4-ethylpiperazin-1-yl)[2-({[4-(4-fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
(4-ethylpiperazin-1-yl)[2-({[4-(4-fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V029-8216 |
| Compound Name: | (4-ethylpiperazin-1-yl)[2-({[4-(4-fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone |
| Molecular Weight: | 439.55 |
| Molecular Formula: | C23 H26 F N5 O S |
| Smiles: | CCN1CCN(CC1)C(c1ccccc1CSc1nnc(C)n1c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7024 |
| logD: | 2.5262 |
| logSw: | -3.0885 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.946 |
| InChI Key: | HWDITNHOAVHOEC-UHFFFAOYSA-N |