4-butyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one
4-butyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y041-2030 |
| Compound Name: | 4-butyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 381.38 |
| Molecular Formula: | C21 H19 N O6 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(ccc12)OCC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.463 |
| logD: | 4.463 |
| logSw: | -4.5397 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.502 |
| InChI Key: | AAKFSYJWRUIZNG-UHFFFAOYSA-N |