3-{4-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)amino]phenyl}propanoic acid
Chemical Structure Depiction of
3-{4-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)amino]phenyl}propanoic acid
3-{4-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)amino]phenyl}propanoic acid
Compound characteristics
| Compound ID: | 8019-0280 |
| Compound Name: | 3-{4-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)amino]phenyl}propanoic acid |
| Molecular Weight: | 390.41 |
| Molecular Formula: | C18 H18 N2 O6 S |
| Smiles: | Cc1cc2c(cc1S(Nc1ccc(CCC(O)=O)cc1)(=O)=O)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6783 |
| logD: | -1.1227 |
| logSw: | -2.4133 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.542 |
| InChI Key: | PYQXTGDGAJBSOE-UHFFFAOYSA-N |