ethyl 4-{5-methyl-4-oxo-3-[2-oxo-2-(propylamino)ethyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{5-methyl-4-oxo-3-[2-oxo-2-(propylamino)ethyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}piperazine-1-carboxylate
ethyl 4-{5-methyl-4-oxo-3-[2-oxo-2-(propylamino)ethyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K936-0095 |
| Compound Name: | ethyl 4-{5-methyl-4-oxo-3-[2-oxo-2-(propylamino)ethyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}piperazine-1-carboxylate |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C20 H27 N5 O5 S |
| Smiles: | CCCNC(CN1C=Nc2c(C1=O)c(C)c(C(N1CCN(CC1)C(=O)OCC)=O)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7692 |
| logD: | 0.7692 |
| logSw: | -1.7991 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.254 |
| InChI Key: | AUUPPTXKOGCBOH-UHFFFAOYSA-N |