N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1'-methyl-9'-oxo-8',9'-dihydrospiro[cyclopentane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1'-methyl-9'-oxo-8',9'-dihydrospiro[cyclopentane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1'-methyl-9'-oxo-8',9'-dihydrospiro[cyclopentane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide
Compound characteristics
| Compound ID: | E003-0811 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1'-methyl-9'-oxo-8',9'-dihydrospiro[cyclopentane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide |
| Molecular Weight: | 433.46 |
| Molecular Formula: | C25 H23 N O6 |
| Smiles: | Cc1c2c3C(CC4(CCCC4)Oc3ccc2oc1C(Nc1ccc2c(c1)OCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3671 |
| logD: | 3.3635 |
| logSw: | -4.0902 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.028 |
| InChI Key: | JWQFQNXTBZQZHT-UHFFFAOYSA-N |