4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid
Chemical Structure Depiction of
4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid
4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid
Compound characteristics
| Compound ID: | K783-4512 |
| Compound Name: | 4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid |
| Molecular Weight: | 249.26 |
| Molecular Formula: | C13 H15 N O4 |
| Smiles: | Cc1ccc2c(c1)N(CCCC(O)=O)C(CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6902 |
| logD: | -2.1234 |
| logSw: | -1.4589 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.702 |
| InChI Key: | JATABTZQKPZILG-UHFFFAOYSA-N |