N-(2H-1,3-benzodioxol-5-yl)-N'-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)urea
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-N'-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)urea
N-(2H-1,3-benzodioxol-5-yl)-N'-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)urea
Compound characteristics
| Compound ID: | G566-1103 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-N'-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)urea |
| Molecular Weight: | 450.47 |
| Molecular Formula: | C22 H18 N4 O5 S |
| Smiles: | CC1=CC2=NC(CSc3ccccc3NC(Nc3ccc4c(c3)OCO4)=O)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0611 |
| logD: | 3.0611 |
| logSw: | -3.3817 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.151 |
| InChI Key: | QEBFTVPJLFPGLB-UHFFFAOYSA-N |