3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxylic acid
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxylic acid
3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxylic acid
Compound characteristics
| Compound ID: | C066-5784 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxylic acid |
| Molecular Weight: | 344.34 |
| Molecular Formula: | C16 H12 N2 O5 S |
| Smiles: | Cc1c(C(O)=O)c2C(N(Cc3ccc4c(c3)OCO4)C=Nc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9014 |
| logD: | -1.8013 |
| logSw: | -2.4461 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.765 |
| InChI Key: | MOSRXGDOFCNJGB-UHFFFAOYSA-N |