2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperazin-1-yl)ethan-1-one
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D419-0539 |
| Compound Name: | 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C23 H27 N5 O3 S |
| Smiles: | CN1CCN(CC1)C(CSc1nnc(c2ccc(c(c2)OC)OC)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3694 |
| logD: | 2.2826 |
| logSw: | -2.7745 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.842 |
| InChI Key: | ASGNYGFYALTPLK-UHFFFAOYSA-N |