2-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
2-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V014-7815 |
| Compound Name: | 2-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C23 H26 N4 O4 S |
| Salt: | not_available |
| Smiles: | COc1cc(cc(c1)OC)c1nnc(n1c1ccccc1)SCC(NCC1CCCO1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7698 |
| logD: | 2.7698 |
| logSw: | -3.2784 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.926 |
| InChI Key: | BCFYJQAZYWJCGU-GOSISDBHSA-N |