3-[3-(trifluoromethyl)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-[3-(trifluoromethyl)phenyl]-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
3-[3-(trifluoromethyl)phenyl]-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
Compound characteristics
| Compound ID: | E754-0477 |
| Compound Name: | 3-[3-(trifluoromethyl)phenyl]-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one |
| Molecular Weight: | 401.38 |
| Molecular Formula: | C22 H18 F3 N O3 |
| Smiles: | C1CCC2=C(C1)C(=O)Oc1c2ccc2c1CN(CO2)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.6303 |
| logD: | 5.6303 |
| logSw: | -5.9309 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.069 |
| InChI Key: | ZJEMEWGZPJXQDO-UHFFFAOYSA-N |