4-{[(8,8-dimethyl-2,9-dioxo-8,9-dihydro-2H,10H-benzo[1,2-b:3,4-b']dipyran-10-ylidene)methyl]amino}benzoic acid
Chemical Structure Depiction of
4-{[(8,8-dimethyl-2,9-dioxo-8,9-dihydro-2H,10H-benzo[1,2-b:3,4-b']dipyran-10-ylidene)methyl]amino}benzoic acid
4-{[(8,8-dimethyl-2,9-dioxo-8,9-dihydro-2H,10H-benzo[1,2-b:3,4-b']dipyran-10-ylidene)methyl]amino}benzoic acid
Compound characteristics
| Compound ID: | 6944-0136 |
| Compound Name: | 4-{[(8,8-dimethyl-2,9-dioxo-8,9-dihydro-2H,10H-benzo[1,2-b:3,4-b']dipyran-10-ylidene)methyl]amino}benzoic acid |
| Molecular Weight: | 391.38 |
| Molecular Formula: | C22 H17 N O6 |
| Smiles: | CC1(C)C(C(=C/Nc2ccc(cc2)C(O)=O)\c2c(ccc3C=CC(=O)Oc23)O1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.555 |
| logD: | 1.1598 |
| logSw: | -3.7866 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.163 |
| InChI Key: | KEVZSCAFUIXKAF-UHFFFAOYSA-N |