3-benzyl-4-methyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzyl-4-methyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-2H-1-benzopyran-2-one
3-benzyl-4-methyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-7752 |
| Compound Name: | 3-benzyl-4-methyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 455.39 |
| Molecular Formula: | C24 H16 F3 N O5 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2cc(ccc12)Oc1ccc(cc1[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.8289 |
| logD: | 5.8289 |
| logSw: | -5.6697 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.804 |
| InChI Key: | YOEHCZOUMUIYFB-UHFFFAOYSA-N |