methyl 4-[3-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)-3-oxoprop-1-en-1-yl]benzoate
Chemical Structure Depiction of
methyl 4-[3-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)-3-oxoprop-1-en-1-yl]benzoate
methyl 4-[3-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)-3-oxoprop-1-en-1-yl]benzoate
Compound characteristics
| Compound ID: | K229-1036 |
| Compound Name: | methyl 4-[3-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)-3-oxoprop-1-en-1-yl]benzoate |
| Molecular Weight: | 379.32 |
| Molecular Formula: | C20 H13 N O7 |
| Smiles: | COC(c1ccc(/C=C/C(C2=Cc3cc(ccc3OC2=O)[N+]([O-])=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6863 |
| logD: | 3.6863 |
| logSw: | -4.2939 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 88.691 |
| InChI Key: | LUYGWMWDYXVZNA-UHFFFAOYSA-N |