3-(4-chlorophenyl)-8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one--hydrogen bromide (1/1)
Chemical Structure Depiction of
3-(4-chlorophenyl)-8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one--hydrogen bromide (1/1)
3-(4-chlorophenyl)-8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 3232-1881 |
| Compound Name: | 3-(4-chlorophenyl)-8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one--hydrogen bromide (1/1) |
| Molecular Weight: | 546.81 |
| Molecular Formula: | C24 H23 Cl F3 N O3 |
| Salt: | HBr |
| Smiles: | CCC1CCCCN1Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)c1ccc(cc1)[Cl])=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9316 |
| logD: | 4.7509 |
| logSw: | -5.8414 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.055 |
| InChI Key: | VEPFKZJYJGNFHO-INIZCTEOSA-N |