methyl 6-[2-(1,2-benzoxazol-3-yl)acetamido]-2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
methyl 6-[2-(1,2-benzoxazol-3-yl)acetamido]-2H-1,3-benzodioxole-5-carboxylate
methyl 6-[2-(1,2-benzoxazol-3-yl)acetamido]-2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | E207-0533 |
| Compound Name: | methyl 6-[2-(1,2-benzoxazol-3-yl)acetamido]-2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 354.32 |
| Molecular Formula: | C18 H14 N2 O6 |
| Smiles: | COC(c1cc2c(cc1NC(Cc1c3ccccc3on1)=O)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8371 |
| logD: | 2.4578 |
| logSw: | -3.3448 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.402 |
| InChI Key: | FYOIPSVKQHCEPI-UHFFFAOYSA-N |