ethyl 2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-5-methyl-3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-5-methyl-3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-5-methyl-3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-5087 |
| Compound Name: | ethyl 2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-5-methyl-3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 521.66 |
| Molecular Formula: | C27 H27 N3 O4 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3ccc(C)cc3)C(=Nc2s1)SCC(NCc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0685 |
| logD: | 5.0685 |
| logSw: | -4.7272 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.898 |
| InChI Key: | NPURUFPPPFUTFR-UHFFFAOYSA-N |