{4-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepan-1-yl}[4-(trifluoromethoxy)phenyl]methanone
Chemical Structure Depiction of
{4-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepan-1-yl}[4-(trifluoromethoxy)phenyl]methanone
{4-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepan-1-yl}[4-(trifluoromethoxy)phenyl]methanone
Compound characteristics
| Compound ID: | V009-9961 |
| Compound Name: | {4-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepan-1-yl}[4-(trifluoromethoxy)phenyl]methanone |
| Molecular Weight: | 542.52 |
| Molecular Formula: | C26 H25 F3 N6 O4 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1OC)c1cnc2ncnn2c1N1CCCN(CC1)C(c1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9359 |
| logD: | 3.9283 |
| logSw: | -3.9214 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.233 |
| InChI Key: | WJRAIKFTCSEKLY-UHFFFAOYSA-N |