4-[4-(butan-2-yl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-[(3-methoxyphenyl)methyl]butanamide
Chemical Structure Depiction of
4-[4-(butan-2-yl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-[(3-methoxyphenyl)methyl]butanamide
4-[4-(butan-2-yl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-[(3-methoxyphenyl)methyl]butanamide
Compound characteristics
| Compound ID: | E596-0643 |
| Compound Name: | 4-[4-(butan-2-yl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-[(3-methoxyphenyl)methyl]butanamide |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C23 H27 N5 O3 S |
| Smiles: | CCC(C)N1C(c2c(ccs2)n2c(CCCC(NCc3cccc(c3)OC)=O)nnc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9003 |
| logD: | 2.9003 |
| logSw: | -3.5102 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.317 |
| InChI Key: | HKAQMCANKCARPY-HNNXBMFYSA-N |