N-[2-(2,5-dimethoxyphenyl)ethyl]-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide
Chemical Structure Depiction of
N-[2-(2,5-dimethoxyphenyl)ethyl]-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide
N-[2-(2,5-dimethoxyphenyl)ethyl]-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide
Compound characteristics
| Compound ID: | C200-2790 |
| Compound Name: | N-[2-(2,5-dimethoxyphenyl)ethyl]-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C22 H25 N5 O4 S |
| Smiles: | CN1C(c2c(ccs2)n2c(CCCC(NCCc3cc(ccc3OC)OC)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5646 |
| logD: | 1.5646 |
| logSw: | -2.4628 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.249 |
| InChI Key: | RBOXCOILKAXHQI-UHFFFAOYSA-N |