ethyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-{[(furan-2-yl)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-{[(furan-2-yl)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-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0087 |
| Compound Name: | ethyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 541.6 |
| Molecular Formula: | C25 H23 N3 O7 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3ccc4c(c3)OCO4)C(=Nc2s1)SCC(NCc1ccco1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.267 |
| logD: | 4.2669 |
| logSw: | -4.2985 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.763 |
| InChI Key: | MGBNJRIKGWCCQJ-UHFFFAOYSA-N |