3-[(6-bromo-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid
Chemical Structure Depiction of
3-[(6-bromo-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid
3-[(6-bromo-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid
Compound characteristics
| Compound ID: | 8013-3857 |
| Compound Name: | 3-[(6-bromo-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid |
| Molecular Weight: | 476.28 |
| Molecular Formula: | C21 H18 Br N O7 |
| Smiles: | COc1ccc(cc1OC)C(CC(O)=O)NC(C1=Cc2cc(ccc2OC1=O)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6553 |
| logD: | 0.0175 |
| logSw: | -3.1063 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.849 |
| InChI Key: | AWDUKUWRHUOKBF-HNNXBMFYSA-N |