4-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}benzoic acid
Chemical Structure Depiction of
4-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}benzoic acid
4-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}benzoic acid
Compound characteristics
| Compound ID: | 4533-0007 |
| Compound Name: | 4-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}benzoic acid |
| Molecular Weight: | 287.31 |
| Molecular Formula: | C16 H17 N O4 |
| Smiles: | CC1(C)CC(C(=CNc2ccc(cc2)C(O)=O)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4328 |
| logD: | 0.0376 |
| logSw: | -2.7062 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.664 |
| InChI Key: | MVRIALDRRVCPHV-UHFFFAOYSA-N |