N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-bromo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-bromo-2H-1-benzopyran-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-bromo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | G669-1126 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-bromo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 388.22 |
| Molecular Formula: | C18 H14 Br N O4 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(C1COc2ccc(cc2C=1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8688 |
| logD: | 3.8688 |
| logSw: | -4.1147 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.137 |
| InChI Key: | CUNUEUZUEWTYDS-UHFFFAOYSA-N |