N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-chloro-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-chloro-4-oxo-4H-1-benzopyran-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-chloro-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-0230 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-chloro-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 357.75 |
| Molecular Formula: | C18 H12 Cl N O5 |
| Smiles: | [H]N(Cc1ccc2c(c1)OCO2)C(C1=CC(c2cc(ccc2O1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4451 |
| logD: | 3.4451 |
| logSw: | -3.8673 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.586 |
| InChI Key: | JSMTYMWYXCXRBW-UHFFFAOYSA-N |