3-benzyl-4,8-dimethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzyl-4,8-dimethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-2H-1-benzopyran-2-one
3-benzyl-4,8-dimethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-7718 |
| Compound Name: | 3-benzyl-4,8-dimethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 469.42 |
| Molecular Formula: | C25 H18 F3 N O5 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2c1ccc(c2C)Oc1ccc(cc1[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 6.4963 |
| logD: | 6.4963 |
| logSw: | -5.7898 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.574 |
| InChI Key: | AZFOAQDJTAJZJU-UHFFFAOYSA-N |