N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{4-[(furan-2-yl)methyl]-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)methyl]-2-{4-[(furan-2-yl)methyl]-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)methyl]-2-{4-[(furan-2-yl)methyl]-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: | C200-7985 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{4-[(furan-2-yl)methyl]-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}acetamide |
| Molecular Weight: | 479.47 |
| Molecular Formula: | C22 H17 N5 O6 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CN1C(N2C(=N1)N(Cc1ccco1)C(c1c2ccs1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3716 |
| logD: | 2.3716 |
| logSw: | -2.9268 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.289 |
| InChI Key: | TXPXMHNUUYIHGU-UHFFFAOYSA-N |