6-bromo-N-[(3-methylphenyl)methyl]-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
6-bromo-N-[(3-methylphenyl)methyl]-2H-1-benzopyran-3-carboxamide
6-bromo-N-[(3-methylphenyl)methyl]-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | G669-1151 |
| Compound Name: | 6-bromo-N-[(3-methylphenyl)methyl]-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 358.23 |
| Molecular Formula: | C18 H16 Br N O2 |
| Smiles: | Cc1cccc(CNC(C2COc3ccc(cc3C=2)[Br])=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.6442 |
| logD: | 4.6442 |
| logSw: | -4.607 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.022 |
| InChI Key: | YYVPZPPEQYOWBO-UHFFFAOYSA-N |