6-hexyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-4-phenyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-hexyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-4-phenyl-2H-1-benzopyran-2-one
6-hexyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-4-phenyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-7236 |
| Compound Name: | 6-hexyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-4-phenyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 511.5 |
| Molecular Formula: | C28 H24 F3 N O5 |
| Smiles: | CCCCCCc1cc2C(=CC(=O)Oc2cc1Oc1ccc(cc1[N+]([O-])=O)C(F)(F)F)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 8.1614 |
| logD: | 8.1614 |
| logSw: | -5.7767 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.376 |
| InChI Key: | VZPNQWLZRMLQGI-UHFFFAOYSA-N |