ethyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-5-methyl-4-oxo-3-[(thiophen-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-5-methyl-4-oxo-3-[(thiophen-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-5-methyl-4-oxo-3-[(thiophen-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-5043 |
| Compound Name: | ethyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-5-methyl-4-oxo-3-[(thiophen-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 528.67 |
| Molecular Formula: | C25 H24 N2 O5 S3 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3cccs3)C(=Nc2s1)SCc1cc(ccc1OC)C(C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9026 |
| logD: | 4.9026 |
| logSw: | -4.7561 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.902 |
| InChI Key: | YZAXAVBHLZWHBB-UHFFFAOYSA-N |