N-(2,3-dimethylphenyl)-N'-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)urea
Chemical Structure Depiction of
N-(2,3-dimethylphenyl)-N'-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)urea
N-(2,3-dimethylphenyl)-N'-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)urea
Compound characteristics
Compound ID: | F882-0386 |
Compound Name: | N-(2,3-dimethylphenyl)-N'-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)urea |
Molecular Weight: | 430.53 |
Molecular Formula: | C24 H22 N4 O2 S |
Smiles: | Cc1cccc(c1C)NC(Nc1ccccc1SCC1=CC(N2C=CC=CC2=N1)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.2837 |
logD: | 4.2837 |
logSw: | -4.3254 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 56.861 |
InChI Key: | KVBQTSWNVRLCOM-UHFFFAOYSA-N |