1'-methyl-N-(4-methylphenyl)-9'-oxo-8',9'-dihydrospiro[cycloheptane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide
Chemical Structure Depiction of
1'-methyl-N-(4-methylphenyl)-9'-oxo-8',9'-dihydrospiro[cycloheptane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide
1'-methyl-N-(4-methylphenyl)-9'-oxo-8',9'-dihydrospiro[cycloheptane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide
Compound characteristics
| Compound ID: | E003-1105 |
| Compound Name: | 1'-methyl-N-(4-methylphenyl)-9'-oxo-8',9'-dihydrospiro[cycloheptane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide |
| Molecular Weight: | 417.5 |
| Molecular Formula: | C26 H27 N O4 |
| Smiles: | Cc1ccc(cc1)NC(c1c(C)c2c3C(CC4(CCCCCC4)Oc3ccc2o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8979 |
| logD: | 5.8976 |
| logSw: | -5.8533 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.17 |
| InChI Key: | KTLQBSAQWUQIND-UHFFFAOYSA-N |