4-bromo-N-{2-[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl}benzamide
Chemical Structure Depiction of
4-bromo-N-{2-[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl}benzamide
4-bromo-N-{2-[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl}benzamide
Compound characteristics
| Compound ID: | F172-0096 |
| Compound Name: | 4-bromo-N-{2-[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl}benzamide |
| Molecular Weight: | 454.28 |
| Molecular Formula: | C21 H16 Br N3 O4 |
| Smiles: | CC1=CC2=NC(COc3ccccc3NC(c3ccc(cc3)[Br])=O)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3497 |
| logD: | 3.3333 |
| logSw: | -3.631 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.41 |
| InChI Key: | AIWWDOQUVXYASN-UHFFFAOYSA-N |