6-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
6-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-2H-1-benzopyran-3-carboxamide
6-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | G669-1110 |
| Compound Name: | 6-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 418.29 |
| Molecular Formula: | C20 H20 Br N O4 |
| Smiles: | COc1ccc(CCNC(C2COc3ccc(cc3C=2)[Br])=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.4063 |
| logD: | 3.4063 |
| logSw: | -3.6761 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.124 |
| InChI Key: | VXNPCTQSCNYYPT-UHFFFAOYSA-N |