N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)acetamide
Compound characteristics
| Compound ID: | D146-0165 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)acetamide |
| Molecular Weight: | 447.49 |
| Molecular Formula: | C26 H25 N O6 |
| Smiles: | CC1=C(CC(NCc2ccc3c(c2)OCO3)=O)C(=O)Oc2cc3c(cc12)c(co3)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.6621 |
| logD: | 4.6621 |
| logSw: | -4.5185 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.035 |
| InChI Key: | ZZJIGOLMKDKQTF-UHFFFAOYSA-N |