2-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}benzoic acid
Chemical Structure Depiction of
2-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}benzoic acid
2-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}benzoic acid
Compound characteristics
| Compound ID: | 4401-0040 |
| Compound Name: | 2-{[(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(=CNc2ccccc2C(O)=O)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6773 |
| logD: | -0.8493 |
| logSw: | -2.9957 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.966 |
| InChI Key: | BYSUDASOSGOPPF-UHFFFAOYSA-N |