3-[4-(trifluoromethoxy)phenyl]-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
Chemical Structure Depiction of
3-[4-(trifluoromethoxy)phenyl]-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
3-[4-(trifluoromethoxy)phenyl]-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
Compound characteristics
| Compound ID: | E754-0646 |
| Compound Name: | 3-[4-(trifluoromethoxy)phenyl]-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one |
| Molecular Weight: | 417.38 |
| Molecular Formula: | C22 H18 F3 N O4 |
| Smiles: | C1CCC2=C(C1)C(=O)Oc1c2ccc2c1CN(CO2)c1ccc(cc1)OC(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 6.1423 |
| logD: | 6.1423 |
| logSw: | -5.8277 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.006 |
| InChI Key: | LJBYKQYRKOPYHE-UHFFFAOYSA-N |