6-bromo-3-{3-[4-(diethylamino)phenyl]prop-2-enoyl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-{3-[4-(diethylamino)phenyl]prop-2-enoyl}-2H-1-benzopyran-2-one
6-bromo-3-{3-[4-(diethylamino)phenyl]prop-2-enoyl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K229-1055 |
| Compound Name: | 6-bromo-3-{3-[4-(diethylamino)phenyl]prop-2-enoyl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 426.31 |
| Molecular Formula: | C22 H20 Br N O3 |
| Smiles: | CCN(CC)c1ccc(/C=C/C(C2=Cc3cc(ccc3OC2=O)[Br])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1804 |
| logD: | 5.1786 |
| logSw: | -5.2668 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.872 |
| InChI Key: | KIJRQVPYDMVTPI-UHFFFAOYSA-N |