3-[2-(4-chlorophenyl)ethyl]-2-{[1-(3-methoxyanilino)-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-(3-methoxyanilino)-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-(3-methoxyanilino)-1-oxobutan-2-yl]sulfanyl}-N,N,5-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
Compound ID: | K285-5156 |
Compound Name: | 3-[2-(4-chlorophenyl)ethyl]-2-{[1-(3-methoxyanilino)-1-oxobutan-2-yl]sulfanyl}-N,N,5-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
Molecular Weight: | 599.17 |
Molecular Formula: | C29 H31 Cl N4 O4 S2 |
Smiles: | CCC(C(Nc1cccc(c1)OC)=O)SC1=Nc2c(C(N1CCc1ccc(cc1)[Cl])=O)c(C)c(C(N(C)C)=O)s2 |
Stereo: | RACEMIC MIXTURE |
logP: | 5.3574 |
logD: | 5.3573 |
logSw: | -6.0144 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 72.559 |
InChI Key: | MZLSUWKFBKDXRJ-QFIPXVFZSA-N |