ethyl 3-[(3-chlorophenyl)methyl]-2-({2-[4-(dimethylamino)anilino]-2-oxoethyl}sulfanyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 3-[(3-chlorophenyl)methyl]-2-({2-[4-(dimethylamino)anilino]-2-oxoethyl}sulfanyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 3-[(3-chlorophenyl)methyl]-2-({2-[4-(dimethylamino)anilino]-2-oxoethyl}sulfanyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0233 |
| Compound Name: | ethyl 3-[(3-chlorophenyl)methyl]-2-({2-[4-(dimethylamino)anilino]-2-oxoethyl}sulfanyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 571.12 |
| Molecular Formula: | C27 H27 Cl N4 O4 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3cccc(c3)[Cl])C(=Nc2s1)SCC(Nc1ccc(cc1)N(C)C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7093 |
| logD: | 5.7007 |
| logSw: | -6.0002 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.381 |
| InChI Key: | SNPUEULISWRZMA-UHFFFAOYSA-N |