1'-methyl-N-[2-(4-methylphenyl)ethyl]-9'-oxo-8',9'-dihydrospiro[cycloheptane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide
Chemical Structure Depiction of
1'-methyl-N-[2-(4-methylphenyl)ethyl]-9'-oxo-8',9'-dihydrospiro[cycloheptane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide
1'-methyl-N-[2-(4-methylphenyl)ethyl]-9'-oxo-8',9'-dihydrospiro[cycloheptane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide
Compound characteristics
| Compound ID: | E003-1058 |
| Compound Name: | 1'-methyl-N-[2-(4-methylphenyl)ethyl]-9'-oxo-8',9'-dihydrospiro[cycloheptane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C28 H31 N O4 |
| Smiles: | Cc1ccc(CCNC(c2c(C)c3c4C(CC5(CCCCCC5)Oc4ccc3o2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5042 |
| logD: | 5.5042 |
| logSw: | -5.6658 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.334 |
| InChI Key: | VNRNKXVNYQXQEB-UHFFFAOYSA-N |