N-(2H-1,3-benzodioxol-5-yl)-2-[(3-methyl-4-oxo-6-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[(3-methyl-4-oxo-6-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[(3-methyl-4-oxo-6-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | L459-0140 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(3-methyl-4-oxo-6-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 451.52 |
| Molecular Formula: | C22 H17 N3 O4 S2 |
| Smiles: | CN1C(=Nc2cc(c3ccccc3)sc2C1=O)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1577 |
| logD: | 4.1577 |
| logSw: | -4.2143 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.82 |
| InChI Key: | CHJZGXHURWEANQ-UHFFFAOYSA-N |