N-(4-fluorophenyl)-2-{[6-(hydroxymethyl)-9-methyl-2-(4-methylphenyl)-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}butanamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-2-{[6-(hydroxymethyl)-9-methyl-2-(4-methylphenyl)-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}butanamide
N-(4-fluorophenyl)-2-{[6-(hydroxymethyl)-9-methyl-2-(4-methylphenyl)-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}butanamide
Compound characteristics
Compound ID: | E544-0488 |
Compound Name: | N-(4-fluorophenyl)-2-{[6-(hydroxymethyl)-9-methyl-2-(4-methylphenyl)-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}butanamide |
Molecular Weight: | 530.62 |
Molecular Formula: | C29 H27 F N4 O3 S |
Smiles: | CCC(C(Nc1ccc(cc1)F)=O)Sc1c2Cc3c(CO)cnc(C)c3Oc2nc(c2ccc(C)cc2)n1 |
Stereo: | RACEMIC MIXTURE |
logP: | 6.358 |
logD: | 6.3551 |
logSw: | -5.391 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 76.007 |
InChI Key: | LJIXNUCDBNJGFV-DEOSSOPVSA-N |