N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(6-chloro-7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(6-chloro-7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(6-chloro-7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamide
Compound characteristics
| Compound ID: | D144-0987 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(6-chloro-7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamide |
| Molecular Weight: | 415.83 |
| Molecular Formula: | C21 H18 Cl N O6 |
| Smiles: | CC1=C(CC(NCc2ccc3c(c2)OCO3)=O)C(=O)Oc2cc(c(cc12)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 3.7579 |
| logD: | 3.7579 |
| logSw: | -4.2066 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.106 |
| InChI Key: | XKRVOPYENGCWLJ-UHFFFAOYSA-N |