methyl 2-[2-(2,4-dioxo-3-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-(2,4-dioxo-3-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl)acetamido]benzoate
methyl 2-[2-(2,4-dioxo-3-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | C200-0833 |
| Compound Name: | methyl 2-[2-(2,4-dioxo-3-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl)acetamido]benzoate |
| Molecular Weight: | 435.46 |
| Molecular Formula: | C22 H17 N3 O5 S |
| Smiles: | COC(c1ccccc1NC(CN1C(N(C(c2c1ccs2)=O)c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9192 |
| logD: | 2.9085 |
| logSw: | -3.5551 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.299 |
| InChI Key: | DXNXVSYCSLKPKJ-UHFFFAOYSA-N |