{4-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepan-1-yl}(3-methyl-1-benzofuran-2-yl)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}(3-methyl-1-benzofuran-2-yl)methanone
{4-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepan-1-yl}(3-methyl-1-benzofuran-2-yl)methanone
Compound characteristics
| Compound ID: | V009-9971 |
| Compound Name: | {4-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepan-1-yl}(3-methyl-1-benzofuran-2-yl)methanone |
| Molecular Weight: | 512.57 |
| Molecular Formula: | C28 H28 N6 O4 |
| Salt: | not_available |
| Smiles: | Cc1c2ccccc2oc1C(N1CCCN(CC1)c1c(cnc2ncnn12)c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1252 |
| logD: | 4.1176 |
| logSw: | -4.0574 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.822 |
| InChI Key: | YANNMLMEPMMXHO-UHFFFAOYSA-N |