3-{2-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)amino]ethoxy}benzoic acid
Chemical Structure Depiction of
3-{2-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)amino]ethoxy}benzoic acid
3-{2-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)amino]ethoxy}benzoic acid
Compound characteristics
| Compound ID: | 8019-8700 |
| Compound Name: | 3-{2-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)amino]ethoxy}benzoic acid |
| Molecular Weight: | 406.41 |
| Molecular Formula: | C18 H18 N2 O7 S |
| Smiles: | Cc1cc2c(cc1S(NCCOc1cccc(c1)C(O)=O)(=O)=O)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1221 |
| logD: | -0.7962 |
| logSw: | -2.8995 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 110.934 |
| InChI Key: | ZQFRZPFVIALKSK-UHFFFAOYSA-N |