methyl 2-({3-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 2-({3-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}amino)benzoate
methyl 2-({3-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | K850-0301 |
| Compound Name: | methyl 2-({3-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}amino)benzoate |
| Molecular Weight: | 506.54 |
| Molecular Formula: | C25 H22 N4 O6 S |
| Smiles: | Cc1c2C(N(CC(Nc3ccccc3OC)=O)C=Nc2sc1C(Nc1ccccc1C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8785 |
| logD: | 1.6478 |
| logSw: | -3.5065 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.89 |
| InChI Key: | QGLPACANKVCKSF-UHFFFAOYSA-N |