ethyl 2-{[(6,7-dihydroxy-2-oxo-2H-1-benzopyran-4-yl)methyl]amino}benzoate
Chemical Structure Depiction of
ethyl 2-{[(6,7-dihydroxy-2-oxo-2H-1-benzopyran-4-yl)methyl]amino}benzoate
ethyl 2-{[(6,7-dihydroxy-2-oxo-2H-1-benzopyran-4-yl)methyl]amino}benzoate
Compound characteristics
| Compound ID: | Y041-2644 |
| Compound Name: | ethyl 2-{[(6,7-dihydroxy-2-oxo-2H-1-benzopyran-4-yl)methyl]amino}benzoate |
| Molecular Weight: | 355.35 |
| Molecular Formula: | C19 H17 N O6 |
| Smiles: | CCOC(c1ccccc1NCC1=CC(=O)Oc2cc(c(cc12)O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9036 |
| logD: | 2.8419 |
| logSw: | -3.1917 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.032 |
| InChI Key: | KBEJNHGMCFZLRT-UHFFFAOYSA-N |