methyl 4-({[4-(3-nitrophenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({[4-(3-nitrophenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}methyl)benzoate
methyl 4-({[4-(3-nitrophenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}methyl)benzoate
Compound characteristics
| Compound ID: | Y040-7380 |
| Compound Name: | methyl 4-({[4-(3-nitrophenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}methyl)benzoate |
| Molecular Weight: | 431.4 |
| Molecular Formula: | C24 H17 N O7 |
| Smiles: | COC(c1ccc(COc2ccc3C(=CC(=O)Oc3c2)c2cccc(c2)[N+]([O-])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.559 |
| logD: | 4.559 |
| logSw: | -4.7464 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.157 |
| InChI Key: | GNRZEPPTOPWDGX-UHFFFAOYSA-N |