ethyl 3-amino-2-{[(2-cyanophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 3-amino-2-{[(2-cyanophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 3-amino-2-{[(2-cyanophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-5172 |
| Compound Name: | ethyl 3-amino-2-{[(2-cyanophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 400.48 |
| Molecular Formula: | C18 H16 N4 O3 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(C(=Nc2s1)SCc1ccccc1C#N)N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8805 |
| logD: | 2.8805 |
| logSw: | -3.2223 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.26 |
| InChI Key: | QQFIAKSBTALXKP-UHFFFAOYSA-N |