ethyl 3-[(3-chlorophenyl)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-[(3-chlorophenyl)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-[(3-chlorophenyl)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: | K285-0119 |
| Compound Name: | ethyl 3-[(3-chlorophenyl)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: | 532.04 |
| Molecular Formula: | C24 H22 Cl N3 O5 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3cccc(c3)[Cl])C(=Nc2s1)SCC(NCc1ccco1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0512 |
| logD: | 5.0512 |
| logSw: | -5.2718 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.647 |
| InChI Key: | AMGRRQVONVJDPW-UHFFFAOYSA-N |