2-[3-(2H-1,3-benzodioxol-5-yl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]-N-(4-bromo-2-fluorophenyl)acetamide
Chemical Structure Depiction of
2-[3-(2H-1,3-benzodioxol-5-yl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]-N-(4-bromo-2-fluorophenyl)acetamide
2-[3-(2H-1,3-benzodioxol-5-yl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]-N-(4-bromo-2-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | C242-1138 |
| Compound Name: | 2-[3-(2H-1,3-benzodioxol-5-yl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]-N-(4-bromo-2-fluorophenyl)acetamide |
| Molecular Weight: | 546.37 |
| Molecular Formula: | C23 H17 Br F N3 O5 S |
| Smiles: | Cc1c2C(N(C(N(CC(Nc3ccc(cc3F)[Br])=O)c2sc1C)=O)c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6413 |
| logD: | 4.6363 |
| logSw: | -4.6022 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.674 |
| InChI Key: | XOUVWXYZRADHEE-UHFFFAOYSA-N |