1-(2,5-dimethoxyphenyl)-2-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(2,5-dimethoxyphenyl)-2-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(2,5-dimethoxyphenyl)-2-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | V014-9922 |
| Compound Name: | 1-(2,5-dimethoxyphenyl)-2-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 491.57 |
| Molecular Formula: | C26 H25 N3 O5 S |
| Salt: | not_available |
| Smiles: | COc1ccc(c(c1)C(CSc1nnc(c2cc(cc(c2)OC)OC)n1c1ccccc1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.8726 |
| logD: | 4.8726 |
| logSw: | -4.7257 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.221 |
| InChI Key: | BJYZLVQGDNPCSP-UHFFFAOYSA-N |