methyl 4-{2-[5-methyl-2-(propan-2-yl)phenoxy]propanoyl}-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Chemical Structure Depiction of
methyl 4-{2-[5-methyl-2-(propan-2-yl)phenoxy]propanoyl}-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
methyl 4-{2-[5-methyl-2-(propan-2-yl)phenoxy]propanoyl}-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Compound characteristics
| Compound ID: | D075-0234 |
| Compound Name: | methyl 4-{2-[5-methyl-2-(propan-2-yl)phenoxy]propanoyl}-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate |
| Molecular Weight: | 397.47 |
| Molecular Formula: | C23 H27 N O5 |
| Smiles: | CC(C)c1ccc(C)cc1OC(C)C(N1CC(C(=O)OC)Oc2ccccc12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.796 |
| logD: | 4.796 |
| logSw: | -4.5159 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.601 |
| InChI Key: | ORVIUOAIGAJOEH-UHFFFAOYSA-N |