methyl 2-[(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)carbamamido]benzoate
Chemical Structure Depiction of
methyl 2-[(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)carbamamido]benzoate
methyl 2-[(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)carbamamido]benzoate
Compound characteristics
Compound ID: | F882-0389 |
Compound Name: | methyl 2-[(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)carbamamido]benzoate |
Molecular Weight: | 460.51 |
Molecular Formula: | C24 H20 N4 O4 S |
Smiles: | COC(c1ccccc1NC(Nc1ccccc1SCC1=CC(N2C=CC=CC2=N1)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.3778 |
logD: | 3.3772 |
logSw: | -3.7977 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 78.035 |
InChI Key: | MVEPTDSTUBRXIZ-UHFFFAOYSA-N |