N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(2-methylpropyl)-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-(3,4-dimethoxyphenyl)ethyl]-4-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide
Compound characteristics
| Compound ID: | E596-0831 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide |
| Molecular Weight: | 497.62 |
| Molecular Formula: | C25 H31 N5 O4 S |
| Smiles: | CC(C)CN1C(c2c(ccs2)n2c(CCCC(NCCc3ccc(c(c3)OC)OC)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2114 |
| logD: | 2.2114 |
| logSw: | -2.8725 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.57 |
| InChI Key: | LAOWEMPNUXMPBZ-UHFFFAOYSA-N |