7-tert-butyl-4-({3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-tert-butyl-4-({3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one
7-tert-butyl-4-({3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C200-8114 |
| Compound Name: | 7-tert-butyl-4-({3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 447.41 |
| Molecular Formula: | C22 H20 F3 N3 O4 |
| Smiles: | CC(C)(C)c1ccc2c(c1)OCC(N2Cc1nc(c2ccc(cc2)OC(F)(F)F)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9511 |
| logD: | 5.9511 |
| logSw: | -5.5273 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.348 |
| InChI Key: | RZDGYRMORXBKFQ-UHFFFAOYSA-N |