3-(4-methoxyphenyl)-3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]propanoic acid
Chemical Structure Depiction of
3-(4-methoxyphenyl)-3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]propanoic acid
3-(4-methoxyphenyl)-3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]propanoic acid
Compound characteristics
| Compound ID: | 8017-0658 |
| Compound Name: | 3-(4-methoxyphenyl)-3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]propanoic acid |
| Molecular Weight: | 406.41 |
| Molecular Formula: | C18 H18 N2 O7 S |
| Smiles: | COc1ccc(cc1)C(CC(O)=O)NS(c1ccc2c(c1)NC(CO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3331 |
| logD: | -1.4678 |
| logSw: | -2.3675 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 111.038 |
| InChI Key: | ZDAYNBZMJXGVQW-AWEZNQCLSA-N |