(4-ethylpiperazin-1-yl)[4-({[5-(3-methoxyphenyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Chemical Structure Depiction of
(4-ethylpiperazin-1-yl)[4-({[5-(3-methoxyphenyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
(4-ethylpiperazin-1-yl)[4-({[5-(3-methoxyphenyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V026-3040 |
| Compound Name: | (4-ethylpiperazin-1-yl)[4-({[5-(3-methoxyphenyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone |
| Molecular Weight: | 527.69 |
| Molecular Formula: | C30 H33 N5 O2 S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(c1ccc(CSc2nnc(c3cccc(c3)OC)n2c2cccc(C)c2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7151 |
| logD: | 4.5389 |
| logSw: | -4.3657 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.441 |
| InChI Key: | XZEMAOLNQODUDK-UHFFFAOYSA-N |