methyl 5-{[(3-ethyl-4-oxo-6-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]methyl}furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-{[(3-ethyl-4-oxo-6-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]methyl}furan-2-carboxylate
methyl 5-{[(3-ethyl-4-oxo-6-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]methyl}furan-2-carboxylate
Compound characteristics
| Compound ID: | L460-0084 |
| Compound Name: | methyl 5-{[(3-ethyl-4-oxo-6-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]methyl}furan-2-carboxylate |
| Molecular Weight: | 426.51 |
| Molecular Formula: | C21 H18 N2 O4 S2 |
| Smiles: | CCN1C(=Nc2cc(c3ccccc3)sc2C1=O)SCc1ccc(C(=O)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.9348 |
| logD: | 4.9348 |
| logSw: | -4.6208 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.529 |
| InChI Key: | PFAFTIXQVXBVFO-UHFFFAOYSA-N |