N-(4-fluoro-2-methylphenyl)-1'-methyl-9'-oxo-8',9'-dihydrospiro[cycloheptane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide
Chemical Structure Depiction of
N-(4-fluoro-2-methylphenyl)-1'-methyl-9'-oxo-8',9'-dihydrospiro[cycloheptane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide
N-(4-fluoro-2-methylphenyl)-1'-methyl-9'-oxo-8',9'-dihydrospiro[cycloheptane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide
Compound characteristics
| Compound ID: | E003-1097 |
| Compound Name: | N-(4-fluoro-2-methylphenyl)-1'-methyl-9'-oxo-8',9'-dihydrospiro[cycloheptane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide |
| Molecular Weight: | 435.49 |
| Molecular Formula: | C26 H26 F N O4 |
| Smiles: | Cc1cc(ccc1NC(c1c(C)c2c3C(CC4(CCCCCC4)Oc3ccc2o1)=O)=O)F |
| Stereo: | ACHIRAL |
| logP: | 5.6917 |
| logD: | 5.673 |
| logSw: | -5.7462 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.472 |
| InChI Key: | HETRJMWNNCMDPT-UHFFFAOYSA-N |