N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(6-chloro-7-hydroxy-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-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamide
Compound characteristics
| Compound ID: | D144-1000 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamide |
| Molecular Weight: | 401.8 |
| Molecular Formula: | C20 H16 Cl N O6 |
| Smiles: | CC1=C(CC(NCc2ccc3c(c2)OCO3)=O)C(=O)Oc2cc(c(cc12)[Cl])O |
| Stereo: | ACHIRAL |
| logP: | 3.409 |
| logD: | 3.0817 |
| logSw: | -3.508 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.024 |
| InChI Key: | CKQUERKZTZUUTQ-UHFFFAOYSA-N |