1'-methyl-9'-oxo-N-[3-(propylsulfanyl)propyl]-8',9'-dihydrospiro[cycloheptane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide
Chemical Structure Depiction of
1'-methyl-9'-oxo-N-[3-(propylsulfanyl)propyl]-8',9'-dihydrospiro[cycloheptane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide
1'-methyl-9'-oxo-N-[3-(propylsulfanyl)propyl]-8',9'-dihydrospiro[cycloheptane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide
Compound characteristics
| Compound ID: | E003-1152 |
| Compound Name: | 1'-methyl-9'-oxo-N-[3-(propylsulfanyl)propyl]-8',9'-dihydrospiro[cycloheptane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide |
| Molecular Weight: | 443.61 |
| Molecular Formula: | C25 H33 N O4 S |
| Smiles: | CCCSCCCNC(c1c(C)c2c3C(CC4(CCCCCC4)Oc3ccc2o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0555 |
| logD: | 5.0555 |
| logSw: | -4.9867 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.605 |
| InChI Key: | SVFLAQUAOXKZBJ-UHFFFAOYSA-N |