ethyl 2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-3-[(3,4-dichlorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-3-[(3,4-dichlorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-3-[(3,4-dichlorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0381 |
| Compound Name: | ethyl 2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-3-[(3,4-dichlorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 568.54 |
| Molecular Formula: | C25 H27 Cl2 N3 O4 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3ccc(c(c3)[Cl])[Cl])C(=Nc2s1)SCC(NC1CCCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1768 |
| logD: | 6.1768 |
| logSw: | -6.334 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.624 |
| InChI Key: | LESPMDFPNMCKBY-UHFFFAOYSA-N |