3-[2-(4-chlorophenyl)ethyl]-2-{[1-(cyclohexylamino)-1-oxobutan-2-yl]sulfanyl}-N,N,5-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
3-[2-(4-chlorophenyl)ethyl]-2-{[1-(cyclohexylamino)-1-oxobutan-2-yl]sulfanyl}-N,N,5-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
3-[2-(4-chlorophenyl)ethyl]-2-{[1-(cyclohexylamino)-1-oxobutan-2-yl]sulfanyl}-N,N,5-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K285-5148 |
| Compound Name: | 3-[2-(4-chlorophenyl)ethyl]-2-{[1-(cyclohexylamino)-1-oxobutan-2-yl]sulfanyl}-N,N,5-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 575.19 |
| Molecular Formula: | C28 H35 Cl N4 O3 S2 |
| Smiles: | CCC(C(NC1CCCCC1)=O)SC1=Nc2c(C(N1CCc1ccc(cc1)[Cl])=O)c(C)c(C(N(C)C)=O)s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4052 |
| logD: | 5.4052 |
| logSw: | -6.0348 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.063 |
| InChI Key: | FKQOROQFMBJZTG-NRFANRHFSA-N |