N-(2H-1,3-benzodioxol-5-yl)-4-(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-4-(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide
N-(2H-1,3-benzodioxol-5-yl)-4-(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide
Compound characteristics
| Compound ID: | K292-1733 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-4-(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide |
| Molecular Weight: | 389.45 |
| Molecular Formula: | C17 H15 N3 O4 S2 |
| Smiles: | C(CC(Nc1ccc2c(c1)OCO2)=O)CN1C(c2c(ccs2)NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1632 |
| logD: | 2.1626 |
| logSw: | -2.934 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.579 |
| InChI Key: | NKBXWTZUMKLDDR-UHFFFAOYSA-N |