dimethyl 5-{[(5-methyl-1,2-benzoxazol-3-yl)methyl]carbamamido}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{[(5-methyl-1,2-benzoxazol-3-yl)methyl]carbamamido}benzene-1,3-dicarboxylate
dimethyl 5-{[(5-methyl-1,2-benzoxazol-3-yl)methyl]carbamamido}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | E569-0208 |
| Compound Name: | dimethyl 5-{[(5-methyl-1,2-benzoxazol-3-yl)methyl]carbamamido}benzene-1,3-dicarboxylate |
| Molecular Weight: | 397.39 |
| Molecular Formula: | C20 H19 N3 O6 |
| Smiles: | Cc1ccc2c(c1)c(CNC(Nc1cc(cc(c1)C(=O)OC)C(=O)OC)=O)no2 |
| Stereo: | ACHIRAL |
| logP: | 4.0575 |
| logD: | 4.0575 |
| logSw: | -4.1727 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.906 |
| InChI Key: | ZSWMZIVGAZRSHG-UHFFFAOYSA-N |