methyl 3-[(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)carbamoyl]-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-[(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)carbamoyl]-5-nitrobenzoate
methyl 3-[(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)carbamoyl]-5-nitrobenzoate
Compound characteristics
| Compound ID: | C301-8075 |
| Compound Name: | methyl 3-[(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)carbamoyl]-5-nitrobenzoate |
| Molecular Weight: | 384.3 |
| Molecular Formula: | C18 H12 N2 O8 |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(NC1=C(c2ccccc2OC1=O)O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.871 |
| logD: | -2.6955 |
| logSw: | -2.8753 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.077 |
| InChI Key: | CUVKBKSGIYPHQC-UHFFFAOYSA-N |