ethyl 2-[(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-3-[2-(cyclohex-1-en-1-yl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-[(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-3-[2-(cyclohex-1-en-1-yl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-[(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-3-[2-(cyclohex-1-en-1-yl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0207 |
| Compound Name: | ethyl 2-[(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-3-[2-(cyclohex-1-en-1-yl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 560.13 |
| Molecular Formula: | C27 H30 Cl N3 O4 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(CCC3CCCCC=3)C(=Nc2s1)SCC(NCc1ccccc1[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7823 |
| logD: | 5.7823 |
| logSw: | -6.0136 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.069 |
| InChI Key: | CQMAJNXBGKKRRG-UHFFFAOYSA-N |