N-{5-chloro-2-[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{5-chloro-2-[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl}-2H-1,3-benzodioxole-5-carboxamide
N-{5-chloro-2-[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | G808-0815 |
| Compound Name: | N-{5-chloro-2-[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 453.84 |
| Molecular Formula: | C22 H16 Cl N3 O6 |
| Smiles: | CC1=CC2=NC(COc3ccc(cc3NC(c3ccc4c(c3)OCO4)=O)[Cl])=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.938 |
| logD: | 2.9205 |
| logSw: | -3.5807 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.525 |
| InChI Key: | DOISWQRKJZHEPI-UHFFFAOYSA-N |