ethyl 2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0137 |
| Compound Name: | ethyl 2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 547.69 |
| Molecular Formula: | C26 H33 N3 O6 S2 |
| Smiles: | CCCCNC(CSC1=Nc2c(C(N1CCc1ccc(c(c1)OC)OC)=O)c(C)c(C(=O)OCC)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.915 |
| logD: | 3.915 |
| logSw: | -4.0782 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.251 |
| InChI Key: | AOSIILFRUJWASC-UHFFFAOYSA-N |