N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-(3-methylbutyl)-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-methylbutyl)-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-methylbutyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide
Compound characteristics
| Compound ID: | E596-0926 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-(3-methylbutyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide |
| Molecular Weight: | 481.57 |
| Molecular Formula: | C24 H27 N5 O4 S |
| Smiles: | CC(C)CCN1C(c2c(ccs2)n2c(CCCC(NCc3ccc4c(c3)OCO4)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.17 |
| logD: | 3.17 |
| logSw: | -3.5042 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.562 |
| InChI Key: | YDCDSKBGLGXSIR-UHFFFAOYSA-N |