ethyl 3-[(3,4-dichlorophenyl)methyl]-5-methyl-4-oxo-2-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 3-[(3,4-dichlorophenyl)methyl]-5-methyl-4-oxo-2-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 3-[(3,4-dichlorophenyl)methyl]-5-methyl-4-oxo-2-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0369 |
| Compound Name: | ethyl 3-[(3,4-dichlorophenyl)methyl]-5-methyl-4-oxo-2-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 590.55 |
| Molecular Formula: | C27 H25 Cl2 N3 O4 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3ccc(c(c3)[Cl])[Cl])C(=Nc2s1)SCC(NCCc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.737 |
| logD: | 5.737 |
| logSw: | -6.1083 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.74 |
| InChI Key: | JAWHNMXPHPLNND-UHFFFAOYSA-N |