methyl 2-({5-methyl-4-oxo-3-[2-oxo-2-(propylamino)ethyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 2-({5-methyl-4-oxo-3-[2-oxo-2-(propylamino)ethyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}amino)benzoate
methyl 2-({5-methyl-4-oxo-3-[2-oxo-2-(propylamino)ethyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | K936-0046 |
| Compound Name: | methyl 2-({5-methyl-4-oxo-3-[2-oxo-2-(propylamino)ethyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}amino)benzoate |
| Molecular Weight: | 442.49 |
| Molecular Formula: | C21 H22 N4 O5 S |
| Smiles: | CCCNC(CN1C=Nc2c(C1=O)c(C)c(C(Nc1ccccc1C(=O)OC)=O)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7701 |
| logD: | 0.5395 |
| logSw: | -2.8279 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.393 |
| InChI Key: | UFJKBLNZRWWSAH-UHFFFAOYSA-N |