3-chloro-N-{5-(ethanesulfonyl)-2-[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl}-4-fluorobenzamide
Chemical Structure Depiction of
3-chloro-N-{5-(ethanesulfonyl)-2-[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl}-4-fluorobenzamide
3-chloro-N-{5-(ethanesulfonyl)-2-[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl}-4-fluorobenzamide
Compound characteristics
| Compound ID: | F172-0879 |
| Compound Name: | 3-chloro-N-{5-(ethanesulfonyl)-2-[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl}-4-fluorobenzamide |
| Molecular Weight: | 519.93 |
| Molecular Formula: | C23 H19 Cl F N3 O6 S |
| Smiles: | CCS(c1ccc(c(c1)NC(c1ccc(c(c1)[Cl])F)=O)OCC1=CC(N2C(C=C(C)O2)=N1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1495 |
| logD: | 1.1423 |
| logSw: | -3.3645 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.446 |
| InChI Key: | RFLRRBJHEZJFIV-UHFFFAOYSA-N |