(4-ethylpiperazin-1-yl)[4-({[4-(4-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Chemical Structure Depiction of
(4-ethylpiperazin-1-yl)[4-({[4-(4-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
(4-ethylpiperazin-1-yl)[4-({[4-(4-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V027-3864 |
| Compound Name: | (4-ethylpiperazin-1-yl)[4-({[4-(4-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone |
| Molecular Weight: | 463.64 |
| Molecular Formula: | C26 H33 N5 O S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(c1ccc(CSc2nnc(C(C)C)n2c2ccc(C)cc2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7707 |
| logD: | 3.5945 |
| logSw: | -3.7619 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.169 |
| InChI Key: | KWJFRFMISLLIPD-UHFFFAOYSA-N |