methyl N-(6-chloro-2-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)-beta-alaninate
Chemical Structure Depiction of
methyl N-(6-chloro-2-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)-beta-alaninate
methyl N-(6-chloro-2-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)-beta-alaninate
Compound characteristics
| Compound ID: | E216-5061 |
| Compound Name: | methyl N-(6-chloro-2-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)-beta-alaninate |
| Molecular Weight: | 312.75 |
| Molecular Formula: | C14 H17 Cl N2 O4 |
| Smiles: | CC1CN(C(NCCC(=O)OC)=O)c2cc(ccc2O1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.37 |
| logD: | 2.37 |
| logSw: | -3.4068 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.435 |
| InChI Key: | HCJQBVOFRWDFCG-SECBINFHSA-N |