butyl {[4-(3-nitrophenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}acetate
Chemical Structure Depiction of
butyl {[4-(3-nitrophenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}acetate
butyl {[4-(3-nitrophenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}acetate
Compound characteristics
| Compound ID: | 3330-4985 |
| Compound Name: | butyl {[4-(3-nitrophenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}acetate |
| Molecular Weight: | 397.38 |
| Molecular Formula: | C21 H19 N O7 |
| Smiles: | CCCCOC(COc1ccc2C(=CC(=O)Oc2c1)c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.641 |
| logD: | 3.641 |
| logSw: | -3.9302 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.708 |
| InChI Key: | SJNNLMPEBTWTSV-UHFFFAOYSA-N |