6-(ethanesulfonyl)-4-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(ethanesulfonyl)-4-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one
6-(ethanesulfonyl)-4-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0351 |
| Compound Name: | 6-(ethanesulfonyl)-4-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 467.42 |
| Molecular Formula: | C20 H16 F3 N3 O5 S |
| Smiles: | CCS(c1ccc2c(c1)N(Cc1nc(c3cccc(c3)C(F)(F)F)no1)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3132 |
| logD: | 3.3132 |
| logSw: | -3.8884 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 84.448 |
| InChI Key: | GKPUANUTXFOJJB-UHFFFAOYSA-N |