ethyl 2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-5-methyl-3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-5-methyl-3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-5-methyl-3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-5111 |
| Compound Name: | ethyl 2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-5-methyl-3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 567.08 |
| Molecular Formula: | C27 H23 Cl N4 O4 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3ccc(C)cc3)C(=Nc2s1)SCC1=CC(N2C=C(C=CC2=N1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6787 |
| logD: | 4.6787 |
| logSw: | -4.9737 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.933 |
| InChI Key: | KOTYOECFTQUGCL-UHFFFAOYSA-N |