ethyl 3-[(1'-methyl-9'-oxo-8',9'-dihydrospiro[cycloheptane-1,7'-furo[3,2-f][1]benzopyran]-2'-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 3-[(1'-methyl-9'-oxo-8',9'-dihydrospiro[cycloheptane-1,7'-furo[3,2-f][1]benzopyran]-2'-carbonyl)amino]benzoate
ethyl 3-[(1'-methyl-9'-oxo-8',9'-dihydrospiro[cycloheptane-1,7'-furo[3,2-f][1]benzopyran]-2'-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | E003-1024 |
| Compound Name: | ethyl 3-[(1'-methyl-9'-oxo-8',9'-dihydrospiro[cycloheptane-1,7'-furo[3,2-f][1]benzopyran]-2'-carbonyl)amino]benzoate |
| Molecular Weight: | 475.54 |
| Molecular Formula: | C28 H29 N O6 |
| Smiles: | CCOC(c1cccc(c1)NC(c1c(C)c2c3C(CC4(CCCCCC4)Oc3ccc2o1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2565 |
| logD: | 6.2558 |
| logSw: | -5.8088 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.924 |
| InChI Key: | STOZEVIPXBSBEY-UHFFFAOYSA-N |