N-[4-(benzylamino)-1,1,1-trifluoro-3-[6-(furan-2-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-yl]-4-oxo-2-(trifluoromethyl)butan-2-yl]furan-2-carboxamide
Chemical Structure Depiction of
N-[4-(benzylamino)-1,1,1-trifluoro-3-[6-(furan-2-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-yl]-4-oxo-2-(trifluoromethyl)butan-2-yl]furan-2-carboxamide
N-[4-(benzylamino)-1,1,1-trifluoro-3-[6-(furan-2-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-yl]-4-oxo-2-(trifluoromethyl)butan-2-yl]furan-2-carboxamide
Compound characteristics
| Compound ID: | 8015-0451 |
| Compound Name: | N-[4-(benzylamino)-1,1,1-trifluoro-3-[6-(furan-2-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-yl]-4-oxo-2-(trifluoromethyl)butan-2-yl]furan-2-carboxamide |
| Molecular Weight: | 692.42 |
| Molecular Formula: | C26 H16 F12 N4 O5 |
| Smiles: | C(c1ccccc1)NC(C(C1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2ccco2)O1)C(C(F)(F)F)(C(F)(F)F)NC(c1ccco1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9131 |
| logD: | 1.2462 |
| logSw: | -4.9191 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.972 |
| InChI Key: | JBDJVNMNTRHWGL-INIZCTEOSA-N |