6-bromo-3-{3-[4-(dimethylamino)phenyl]prop-2-enoyl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-{3-[4-(dimethylamino)phenyl]prop-2-enoyl}-2H-1-benzopyran-2-one
6-bromo-3-{3-[4-(dimethylamino)phenyl]prop-2-enoyl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K229-0727 |
| Compound Name: | 6-bromo-3-{3-[4-(dimethylamino)phenyl]prop-2-enoyl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 398.25 |
| Molecular Formula: | C20 H16 Br N O3 |
| Smiles: | CN(C)c1ccc(/C=C/C(C2=Cc3cc(ccc3OC2=O)[Br])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4599 |
| logD: | 4.4598 |
| logSw: | -4.6162 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.94 |
| InChI Key: | HYIWYFNJHJLRMD-UHFFFAOYSA-N |