ethyl 2-{[(2-chloro-6-fluorophenyl)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-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3-[(thiophen-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3-[(thiophen-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-5063 |
| Compound Name: | ethyl 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3-[(thiophen-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 509.04 |
| Molecular Formula: | C22 H18 Cl F N2 O3 S3 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3cccs3)C(=Nc2s1)SCc1c(cccc1[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9714 |
| logD: | 5.9714 |
| logSw: | -6.2567 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.445 |
| InChI Key: | MWKRRPWEAWFMQR-UHFFFAOYSA-N |