N-[(4-ethoxyphenyl)methyl]-1'-methyl-9'-oxo-8',9'-dihydrospiro[cycloheptane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide
Chemical Structure Depiction of
N-[(4-ethoxyphenyl)methyl]-1'-methyl-9'-oxo-8',9'-dihydrospiro[cycloheptane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide
N-[(4-ethoxyphenyl)methyl]-1'-methyl-9'-oxo-8',9'-dihydrospiro[cycloheptane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide
Compound characteristics
| Compound ID: | E003-1179 |
| Compound Name: | N-[(4-ethoxyphenyl)methyl]-1'-methyl-9'-oxo-8',9'-dihydrospiro[cycloheptane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C28 H31 N O5 |
| Smiles: | CCOc1ccc(CNC(c2c(C)c3c4C(CC5(CCCCCC5)Oc4ccc3o2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5163 |
| logD: | 5.5163 |
| logSw: | -5.6708 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.616 |
| InChI Key: | BYEGRELEFGLDIY-UHFFFAOYSA-N |