N-(2H-1,3-benzodioxol-5-yl)-N'-(2-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)urea
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-N'-(2-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)urea
N-(2H-1,3-benzodioxol-5-yl)-N'-(2-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)urea
Compound characteristics
| Compound ID: | F882-0277 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-N'-(2-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)urea |
| Molecular Weight: | 460.51 |
| Molecular Formula: | C24 H20 N4 O4 S |
| Smiles: | CC1C=CC2=NC(CSc3ccccc3NC(Nc3ccc4c(c3)OCO4)=O)=CC(N2C=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8517 |
| logD: | 3.8517 |
| logSw: | -4.0216 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.193 |
| InChI Key: | CDSQMVULJQHKMY-UHFFFAOYSA-N |