3-(2H-1,3-benzodioxol-5-yl)-1-[(2-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-1-[(2-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
3-(2H-1,3-benzodioxol-5-yl)-1-[(2-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C242-1135 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-1-[(2-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 424.45 |
| Molecular Formula: | C22 H17 F N2 O4 S |
| Smiles: | Cc1c2C(N(C(N(Cc3ccccc3F)c2sc1C)=O)c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6953 |
| logD: | 4.6953 |
| logSw: | -4.5826 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.222 |
| InChI Key: | IUZNYCLEGUABOP-UHFFFAOYSA-N |