ethyl {4-[(2-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)carbamamido]phenyl}acetate
Chemical Structure Depiction of
ethyl {4-[(2-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)carbamamido]phenyl}acetate
ethyl {4-[(2-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)carbamamido]phenyl}acetate
Compound characteristics
Compound ID: | F882-0359 |
Compound Name: | ethyl {4-[(2-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)carbamamido]phenyl}acetate |
Molecular Weight: | 502.59 |
Molecular Formula: | C27 H26 N4 O4 S |
Smiles: | CCOC(Cc1ccc(cc1)NC(Nc1ccccc1SCC1=CC(N2C=CC=C(C)C2=N1)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.0717 |
logD: | 4.0717 |
logSw: | -4.1041 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 76.738 |
InChI Key: | BOMYDKPSULESCA-UHFFFAOYSA-N |