4-{[(8,8-dimethyl-2,9-dioxo-8,9-dihydro-2H,10H-benzo[1,2-b:3,4-b']dipyran-10-ylidene)methyl]amino}-2-hydroxybenzoic 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}-2-hydroxybenzoic 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}-2-hydroxybenzoic acid
Compound characteristics
| Compound ID: | 6944-0137 |
| 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}-2-hydroxybenzoic acid |
| Molecular Weight: | 407.38 |
| Molecular Formula: | C22 H17 N O7 |
| Smiles: | CC1(C)C(C(=C/Nc2ccc(C(O)=O)c(c2)O)\c2c(ccc3C=CC(=O)Oc23)O1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5206 |
| logD: | 0.4917 |
| logSw: | -3.7557 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.711 |
| InChI Key: | YHQCLGOTQOYRRZ-UHFFFAOYSA-N |