ethyl 2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-3-[(4-fluorophenyl)methyl]-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-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0163 |
| Compound Name: | ethyl 2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 491.6 |
| Molecular Formula: | C23 H26 F N3 O4 S2 |
| Smiles: | CCCCNC(CSC1=Nc2c(C(N1Cc1ccc(cc1)F)=O)c(C)c(C(=O)OCC)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3279 |
| logD: | 4.3279 |
| logSw: | -4.2513 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.011 |
| InChI Key: | KSOBEALSAOJIBZ-UHFFFAOYSA-N |