(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-chloro-3-(3-fluorobenzamido)benzoate
Chemical Structure Depiction of
(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-chloro-3-(3-fluorobenzamido)benzoate
(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-chloro-3-(3-fluorobenzamido)benzoate
Compound characteristics
| Compound ID: | G357-5004 |
| Compound Name: | (2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-chloro-3-(3-fluorobenzamido)benzoate |
| Molecular Weight: | 455.83 |
| Molecular Formula: | C22 H15 Cl F N3 O5 |
| Smiles: | CC1=CC2=NC(COC(c3ccc(c(c3)NC(c3cccc(c3)F)=O)[Cl])=O)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3061 |
| logD: | 3.1751 |
| logSw: | -3.7233 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.953 |
| InChI Key: | IBHXWWQENQCDAK-UHFFFAOYSA-N |