N-[(2H-1,3-benzodioxol-5-yl)methyl]-1'-methyl-9'-oxo-8',9'-dihydrospiro[cycloheptane-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[cycloheptane-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[cycloheptane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide
Compound characteristics
| Compound ID: | E003-1036 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1'-methyl-9'-oxo-8',9'-dihydrospiro[cycloheptane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide |
| Molecular Weight: | 461.51 |
| Molecular Formula: | C27 H27 N O6 |
| Smiles: | Cc1c2c3C(CC4(CCCCCC4)Oc3ccc2oc1C(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0604 |
| logD: | 5.0604 |
| logSw: | -5.0762 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.608 |
| InChI Key: | NYBATGFSGAPODV-UHFFFAOYSA-N |