6-chloro-4-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-4-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one
6-chloro-4-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0135 |
| Compound Name: | 6-chloro-4-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 409.75 |
| Molecular Formula: | C18 H11 Cl F3 N3 O3 |
| Smiles: | C(c1nc(c2cccc(c2)C(F)(F)F)no1)N1C(COc2ccc(cc12)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4604 |
| logD: | 4.4604 |
| logSw: | -4.662 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.411 |
| InChI Key: | ZTUHWVMPELYPFJ-UHFFFAOYSA-N |