(4-ethylpiperazin-1-yl)[3-({[4-(2-fluorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Chemical Structure Depiction of
(4-ethylpiperazin-1-yl)[3-({[4-(2-fluorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
(4-ethylpiperazin-1-yl)[3-({[4-(2-fluorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V030-1374 |
| Compound Name: | (4-ethylpiperazin-1-yl)[3-({[4-(2-fluorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone |
| Molecular Weight: | 515.65 |
| Molecular Formula: | C29 H30 F N5 O S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(c1cccc(CSc2nnc(c3ccc(C)cc3)n2c2ccccc2F)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7717 |
| logD: | 4.5955 |
| logSw: | -4.5194 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.597 |
| InChI Key: | SSTMMOPZSOHYAM-UHFFFAOYSA-N |