4-(2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanoic acid
Chemical Structure Depiction of
4-(2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanoic acid
4-(2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanoic acid
Compound characteristics
| Compound ID: | FF01-0779 |
| Compound Name: | 4-(2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanoic acid |
| Molecular Weight: | 249.26 |
| Molecular Formula: | C13 H15 N O4 |
| Smiles: | CC1CN(C(CCC(O)=O)=O)c2ccccc2O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2307 |
| logD: | -1.7187 |
| logSw: | -1.8096 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.728 |
| InChI Key: | JPBFQXDKURXXSB-SECBINFHSA-N |