ethyl 2-({[6-(ethoxycarbonyl)-2H,4H-1,3-benzodioxin-8-yl]methyl}sulfanyl)-5-methyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-({[6-(ethoxycarbonyl)-2H,4H-1,3-benzodioxin-8-yl]methyl}sulfanyl)-5-methyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-({[6-(ethoxycarbonyl)-2H,4H-1,3-benzodioxin-8-yl]methyl}sulfanyl)-5-methyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0447 |
| Compound Name: | ethyl 2-({[6-(ethoxycarbonyl)-2H,4H-1,3-benzodioxin-8-yl]methyl}sulfanyl)-5-methyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 574.67 |
| Molecular Formula: | C27 H30 N2 O8 S2 |
| Smiles: | CCOC(c1cc2COCOc2c(CSC2=Nc3c(C(N2CC2CCCO2)=O)c(C)c(C(=O)OCC)s3)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.474 |
| logD: | 4.474 |
| logSw: | -4.4901 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 92.724 |
| InChI Key: | AGJWOMOTEIRXPN-LJQANCHMSA-N |