ethyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0222 |
| Compound Name: | ethyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 586.08 |
| Molecular Formula: | C27 H24 Cl N3 O6 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3ccc4c(c3)OCO4)C(=Nc2s1)SCC(NCc1ccccc1[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2983 |
| logD: | 5.2983 |
| logSw: | -6.0331 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.014 |
| InChI Key: | JVOSYEOWFRMRNQ-UHFFFAOYSA-N |