N-[(2H-1,3-benzodioxol-5-yl)methyl]-1'-methyl-9'-oxo-8',9'-dihydrospiro[cyclohexane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1'-methyl-9'-oxo-8',9'-dihydrospiro[cyclohexane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1'-methyl-9'-oxo-8',9'-dihydrospiro[cyclohexane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide
Compound characteristics
| Compound ID: | E003-0110 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1'-methyl-9'-oxo-8',9'-dihydrospiro[cyclohexane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide |
| Molecular Weight: | 447.49 |
| Molecular Formula: | C26 H25 N O6 |
| Smiles: | Cc1c2c3C(CC4(CCCCC4)Oc3ccc2oc1C(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5645 |
| logD: | 4.5645 |
| logSw: | -4.8816 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.277 |
| InChI Key: | MVKPGMAZBUODNY-UHFFFAOYSA-N |