3-{2-[(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]ethoxy}benzoic acid
Chemical Structure Depiction of
3-{2-[(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]ethoxy}benzoic acid
3-{2-[(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]ethoxy}benzoic acid
Compound characteristics
| Compound ID: | 8018-7528 |
| Compound Name: | 3-{2-[(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]ethoxy}benzoic acid |
| Molecular Weight: | 406.41 |
| Molecular Formula: | C18 H18 N2 O7 S |
| Smiles: | CN1C(COc2ccc(cc12)S(NCCOc1cccc(c1)C(O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0571 |
| logD: | -0.8611 |
| logSw: | -2.8202 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.531 |
| InChI Key: | XANCCDXXYWNZJU-UHFFFAOYSA-N |