methyl 2-{[(6,7-dihydroxy-2-oxo-2H-1-benzopyran-4-yl)methyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[(6,7-dihydroxy-2-oxo-2H-1-benzopyran-4-yl)methyl]amino}benzoate
methyl 2-{[(6,7-dihydroxy-2-oxo-2H-1-benzopyran-4-yl)methyl]amino}benzoate
Compound characteristics
| Compound ID: | Y041-2645 |
| Compound Name: | methyl 2-{[(6,7-dihydroxy-2-oxo-2H-1-benzopyran-4-yl)methyl]amino}benzoate |
| Molecular Weight: | 341.32 |
| Molecular Formula: | C18 H15 N O6 |
| Smiles: | COC(c1ccccc1NCC1=CC(=O)Oc2cc(c(cc12)O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.36 |
| logD: | 2.2983 |
| logSw: | -2.9477 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.452 |
| InChI Key: | CKECVQYXPRUTPM-UHFFFAOYSA-N |