ethyl 4-[(2-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)carbamamido]benzoate
Chemical Structure Depiction of
ethyl 4-[(2-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)carbamamido]benzoate
ethyl 4-[(2-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)carbamamido]benzoate
Compound characteristics
Compound ID: | F882-0262 |
Compound Name: | ethyl 4-[(2-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)carbamamido]benzoate |
Molecular Weight: | 488.56 |
Molecular Formula: | C26 H24 N4 O4 S |
Smiles: | CCOC(c1ccc(cc1)NC(Nc1ccccc1SCC1=CC(N2C=C(C)C=CC2=N1)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.62 |
logD: | 4.62 |
logSw: | -4.3501 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 78.831 |
InChI Key: | XZIUXSAGDIRPGK-UHFFFAOYSA-N |