ethyl 4-[(3-benzyl-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-3-oxobutanoate
Chemical Structure Depiction of
ethyl 4-[(3-benzyl-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-3-oxobutanoate
ethyl 4-[(3-benzyl-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-3-oxobutanoate
Compound characteristics
| Compound ID: | K292-0067 |
| Compound Name: | ethyl 4-[(3-benzyl-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-3-oxobutanoate |
| Molecular Weight: | 402.49 |
| Molecular Formula: | C19 H18 N2 O4 S2 |
| Smiles: | CCOC(CC(CSC1=Nc2ccsc2C(N1Cc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.185 |
| logD: | 3.185 |
| logSw: | -3.2637 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.975 |
| InChI Key: | NLGRMMWTJXYNLM-UHFFFAOYSA-N |