N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-ethyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-ethyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-ethyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C280-1171 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-ethyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 405.49 |
| Molecular Formula: | C18 H19 N3 O4 S2 |
| Smiles: | CCN1C(=NC2CCSC=2C1=O)SCC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8066 |
| logD: | 1.8066 |
| logSw: | -2.5106 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.691 |
| InChI Key: | KSOXWARLCIJZLL-UHFFFAOYSA-N |