methyl 2-[(1'-methyl-9'-oxo-8',9'-dihydrospiro[cyclohexane-1,7'-furo[3,2-f][1]benzopyran]-2'-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[(1'-methyl-9'-oxo-8',9'-dihydrospiro[cyclohexane-1,7'-furo[3,2-f][1]benzopyran]-2'-carbonyl)amino]benzoate
methyl 2-[(1'-methyl-9'-oxo-8',9'-dihydrospiro[cyclohexane-1,7'-furo[3,2-f][1]benzopyran]-2'-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | E003-0106 |
| Compound Name: | methyl 2-[(1'-methyl-9'-oxo-8',9'-dihydrospiro[cyclohexane-1,7'-furo[3,2-f][1]benzopyran]-2'-carbonyl)amino]benzoate |
| Molecular Weight: | 447.49 |
| Molecular Formula: | C26 H25 N O6 |
| Smiles: | Cc1c2c3C(CC4(CCCCC4)Oc3ccc2oc1C(Nc1ccccc1C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9014 |
| logD: | 4.272 |
| logSw: | -4.9212 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.315 |
| InChI Key: | JJIFQSFWFHXQDM-UHFFFAOYSA-N |