N-[2-(3,4-dimethoxyphenyl)ethyl]-1'-methyl-9'-oxo-8',9'-dihydrospiro[cycloheptane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-1'-methyl-9'-oxo-8',9'-dihydrospiro[cycloheptane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-1'-methyl-9'-oxo-8',9'-dihydrospiro[cycloheptane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide
Compound characteristics
| Compound ID: | E003-1020 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-1'-methyl-9'-oxo-8',9'-dihydrospiro[cycloheptane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide |
| Molecular Weight: | 491.58 |
| Molecular Formula: | C29 H33 N O6 |
| Smiles: | Cc1c2c3C(CC4(CCCCCC4)Oc3ccc2oc1C(NCCc1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5979 |
| logD: | 4.5979 |
| logSw: | -4.8231 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.595 |
| InChI Key: | CLHZBDPAJKHEJR-UHFFFAOYSA-N |