2-{4,8-dimethyl-7-[(2-methylprop-2-en-1-yl)oxy]-2-oxo-2H-1-benzopyran-3-yl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)acetamide
Chemical Structure Depiction of
2-{4,8-dimethyl-7-[(2-methylprop-2-en-1-yl)oxy]-2-oxo-2H-1-benzopyran-3-yl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)acetamide
2-{4,8-dimethyl-7-[(2-methylprop-2-en-1-yl)oxy]-2-oxo-2H-1-benzopyran-3-yl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)acetamide
Compound characteristics
| Compound ID: | Y041-6910 |
| Compound Name: | 2-{4,8-dimethyl-7-[(2-methylprop-2-en-1-yl)oxy]-2-oxo-2H-1-benzopyran-3-yl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)acetamide |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C21 H25 N O6 S |
| Smiles: | CC(=C)COc1ccc2C(C)=C(CC(NC3CCS(C3)(=O)=O)=O)C(=O)Oc2c1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2379 |
| logD: | 2.2379 |
| logSw: | -2.8813 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.793 |
| InChI Key: | XTMUFSDXCASQHS-OAHLLOKOSA-N |