(4-ethylpiperazin-1-yl)[3-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Chemical Structure Depiction of
(4-ethylpiperazin-1-yl)[3-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
(4-ethylpiperazin-1-yl)[3-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V029-7967 |
| Compound Name: | (4-ethylpiperazin-1-yl)[3-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone |
| Molecular Weight: | 461.63 |
| Molecular Formula: | C26 H31 N5 O S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(c1cccc(CSc2nnc(c3ccc(C)cc3)n2CC=C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0719 |
| logD: | 3.8957 |
| logSw: | -3.8836 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.404 |
| InChI Key: | KTSFVECUBRWINU-UHFFFAOYSA-N |