N-(2H-1,3-benzodioxol-5-yl)-2-[4-(3-methylbutyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[4-(3-methylbutyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[4-(3-methylbutyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide
Compound characteristics
| Compound ID: | L397-0290 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[4-(3-methylbutyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide |
| Molecular Weight: | 455.49 |
| Molecular Formula: | C21 H21 N5 O5 S |
| Smiles: | CC(C)CCN1C2=NN(CC(Nc3ccc4c(c3)OCO4)=O)C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.437 |
| logD: | 3.437 |
| logSw: | -3.8076 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.468 |
| InChI Key: | HWVFTWALQCEAMD-UHFFFAOYSA-N |