methyl 4-[2-(3,4-dimethylphenoxy)propanoyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Chemical Structure Depiction of
methyl 4-[2-(3,4-dimethylphenoxy)propanoyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
methyl 4-[2-(3,4-dimethylphenoxy)propanoyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Compound characteristics
| Compound ID: | D075-0211 |
| Compound Name: | methyl 4-[2-(3,4-dimethylphenoxy)propanoyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate |
| Molecular Weight: | 369.42 |
| Molecular Formula: | C21 H23 N O5 |
| Smiles: | CC(C(N1CC(C(=O)OC)Oc2ccccc12)=O)Oc1ccc(C)c(C)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9439 |
| logD: | 3.9439 |
| logSw: | -4.0385 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.515 |
| InChI Key: | AHMFHTFBOIXSPC-UHFFFAOYSA-N |