7-[(3-methylbut-2-en-1-yl)oxy]-4-(3-nitrophenyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-[(3-methylbut-2-en-1-yl)oxy]-4-(3-nitrophenyl)-2H-1-benzopyran-2-one
7-[(3-methylbut-2-en-1-yl)oxy]-4-(3-nitrophenyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y042-8210 |
| Compound Name: | 7-[(3-methylbut-2-en-1-yl)oxy]-4-(3-nitrophenyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 351.36 |
| Molecular Formula: | C20 H17 N O5 |
| Smiles: | CC(C)=CCOc1ccc2C(=CC(=O)Oc2c1)c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6259 |
| logD: | 4.6259 |
| logSw: | -4.6147 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.173 |
| InChI Key: | PZKVUTIZYUUICV-UHFFFAOYSA-N |