N-(2H-1,3-benzodioxol-5-yl)-2-[(3,6-dimethyl-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)-2-[(3,6-dimethyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[(3,6-dimethyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C280-0817 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(3,6-dimethyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C17 H17 N3 O4 S2 |
| Smiles: | CC1CC2=C(C(N(C)C(=N2)SCC(Nc2ccc3c(c2)OCO3)=O)=O)S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1217 |
| logD: | 2.1217 |
| logSw: | -3.0933 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.41 |
| InChI Key: | VJAGZHTVFNDXTG-VIFPVBQESA-N |