ethyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-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-[2-(cyclohex-1-en-1-yl)ethyl]-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-[2-(cyclohex-1-en-1-yl)ethyl]-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: | K285-0085 |
| Compound Name: | ethyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-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: | 515.65 |
| Molecular Formula: | C25 H29 N3 O5 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(CCC3CCCCC=3)C(=Nc2s1)SCC(NCc1ccco1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7509 |
| logD: | 4.7509 |
| logSw: | -4.3891 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.818 |
| InChI Key: | MDGLBDONYOFXLT-UHFFFAOYSA-N |