ethyl 2-{[(3-chlorophenyl)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-{[(3-chlorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3-[(thiophen-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-{[(3-chlorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3-[(thiophen-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-5038 |
| Compound Name: | ethyl 2-{[(3-chlorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3-[(thiophen-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 491.05 |
| Molecular Formula: | C22 H19 Cl N2 O3 S3 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3cccs3)C(=Nc2s1)SCc1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8777 |
| logD: | 5.8777 |
| logSw: | -6.0695 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.445 |
| InChI Key: | YFXGZAREYDTIJQ-UHFFFAOYSA-N |