methyl N-(2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)-beta-alaninate
Chemical Structure Depiction of
methyl N-(2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)-beta-alaninate
methyl N-(2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)-beta-alaninate
Compound characteristics
| Compound ID: | E216-4837 |
| Compound Name: | methyl N-(2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)-beta-alaninate |
| Molecular Weight: | 264.28 |
| Molecular Formula: | C13 H16 N2 O4 |
| Smiles: | COC(CCNC(N1CCOc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4419 |
| logD: | 1.4419 |
| logSw: | -1.8969 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.337 |
| InChI Key: | ZJILUGKRTCRNAO-UHFFFAOYSA-N |