1-{4-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepan-1-yl}-2-(2-methoxyethoxy)ethan-1-one
Chemical Structure Depiction of
1-{4-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepan-1-yl}-2-(2-methoxyethoxy)ethan-1-one
1-{4-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepan-1-yl}-2-(2-methoxyethoxy)ethan-1-one
Compound characteristics
| Compound ID: | V002-0068 |
| Compound Name: | 1-{4-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepan-1-yl}-2-(2-methoxyethoxy)ethan-1-one |
| Molecular Weight: | 470.53 |
| Molecular Formula: | C23 H30 N6 O5 |
| Smiles: | COCCOCC(N1CCCN(CC1)c1c(cnc2ncnn12)c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4556 |
| logD: | 0.448 |
| logSw: | -1.806 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.736 |
| InChI Key: | KKQWLVRUOVMGGF-UHFFFAOYSA-N |