5-{[(3-bromo-4,5-dimethoxyphenyl)methyl]amino}-2-(morpholin-4-yl)benzoic acid
Chemical Structure Depiction of
5-{[(3-bromo-4,5-dimethoxyphenyl)methyl]amino}-2-(morpholin-4-yl)benzoic acid
5-{[(3-bromo-4,5-dimethoxyphenyl)methyl]amino}-2-(morpholin-4-yl)benzoic acid
Compound characteristics
| Compound ID: | IB03-0547 |
| Compound Name: | 5-{[(3-bromo-4,5-dimethoxyphenyl)methyl]amino}-2-(morpholin-4-yl)benzoic acid |
| Molecular Weight: | 451.32 |
| Molecular Formula: | C20 H23 Br N2 O5 |
| Smiles: | COc1cc(CNc2ccc(c(c2)C(O)=O)N2CCOCC2)cc(c1OC)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.58 |
| logD: | 1.34 |
| logSw: | -4.43 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.55 |
| InChI Key: | KTFYUTUAYSLPCY-UHFFFAOYSA-N |