N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-(3-methoxypropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-(3-methoxypropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-(3-methoxypropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide
Compound characteristics
| Compound ID: | E596-0275 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-(3-methoxypropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide |
| Molecular Weight: | 483.55 |
| Molecular Formula: | C23 H25 N5 O5 S |
| Smiles: | COCCCN1C(c2c(ccs2)n2c(CCCC(NCc3ccc4c(c3)OCO4)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7856 |
| logD: | 1.7856 |
| logSw: | -2.5042 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.904 |
| InChI Key: | JEKQPBXIJFDBBT-UHFFFAOYSA-N |