ethyl 3-benzyl-2-({[6-(ethoxycarbonyl)-2H,4H-1,3-benzodioxin-8-yl]methyl}sulfanyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 3-benzyl-2-({[6-(ethoxycarbonyl)-2H,4H-1,3-benzodioxin-8-yl]methyl}sulfanyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 3-benzyl-2-({[6-(ethoxycarbonyl)-2H,4H-1,3-benzodioxin-8-yl]methyl}sulfanyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0327 |
| Compound Name: | ethyl 3-benzyl-2-({[6-(ethoxycarbonyl)-2H,4H-1,3-benzodioxin-8-yl]methyl}sulfanyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 580.68 |
| Molecular Formula: | C29 H28 N2 O7 S2 |
| Smiles: | CCOC(c1cc2COCOc2c(CSC2=Nc3c(C(N2Cc2ccccc2)=O)c(C)c(C(=O)OCC)s3)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0312 |
| logD: | 6.0312 |
| logSw: | -5.4992 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 84.07 |
| InChI Key: | QZXGUDVMUILNIK-UHFFFAOYSA-N |