N-(3,4-dimethoxyphenyl)-4-[5-oxo-4-(propan-2-yl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-4-[5-oxo-4-(propan-2-yl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide
N-(3,4-dimethoxyphenyl)-4-[5-oxo-4-(propan-2-yl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide
Compound characteristics
| Compound ID: | E596-0469 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-4-[5-oxo-4-(propan-2-yl)-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: | CC(C)N1C(c2c(ccs2)n2c(CCCC(Nc3ccc(c(c3)OC)OC)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1755 |
| logD: | 2.1754 |
| logSw: | -3.0003 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.127 |
| InChI Key: | OBJMBRNLKPNYBH-UHFFFAOYSA-N |