methyl 2-(2-{3-[4-(4-methoxyanilino)-4-oxobutyl]-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{3-[4-(4-methoxyanilino)-4-oxobutyl]-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl}acetamido)benzoate
methyl 2-(2-{3-[4-(4-methoxyanilino)-4-oxobutyl]-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | C200-1174 |
| Compound Name: | methyl 2-(2-{3-[4-(4-methoxyanilino)-4-oxobutyl]-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl}acetamido)benzoate |
| Molecular Weight: | 550.59 |
| Molecular Formula: | C27 H26 N4 O7 S |
| Smiles: | COC(c1ccccc1NC(CN1C(N(CCCC(Nc2ccc(cc2)OC)=O)C(c2c1ccs2)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9697 |
| logD: | 2.9565 |
| logSw: | -3.6212 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.582 |
| InChI Key: | GQRQXRZSJLVYCN-UHFFFAOYSA-N |