N-[(2H-1,3-benzodioxol-5-yl)methyl]-9'-hydroxy-1'-methyl-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]-9'-hydroxy-1'-methyl-8',9'-dihydrospiro[cyclohexane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-9'-hydroxy-1'-methyl-8',9'-dihydrospiro[cyclohexane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide
Compound characteristics
| Compound ID: | E766-0095 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-9'-hydroxy-1'-methyl-8',9'-dihydrospiro[cyclohexane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide |
| Molecular Weight: | 449.5 |
| Molecular Formula: | C26 H27 N O6 |
| Smiles: | Cc1c2c3C(CC4(CCCCC4)Oc3ccc2oc1C(NCc1ccc2c(c1)OCO2)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5639 |
| logD: | 4.5639 |
| logSw: | -4.5843 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.645 |
| InChI Key: | PKHJGWVLQRVEIN-KRWDZBQOSA-N |