3-(2,4-dichlorophenyl)-7-hydroxy-8-[(piperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one--hydrogen bromide (1/1)
Chemical Structure Depiction of
3-(2,4-dichlorophenyl)-7-hydroxy-8-[(piperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one--hydrogen bromide (1/1)
3-(2,4-dichlorophenyl)-7-hydroxy-8-[(piperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 4491-0869 |
| Compound Name: | 3-(2,4-dichlorophenyl)-7-hydroxy-8-[(piperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one--hydrogen bromide (1/1) |
| Molecular Weight: | 553.2 |
| Molecular Formula: | C22 H18 Cl2 F3 N O3 |
| Salt: | HBr |
| Smiles: | C1CCN(CC1)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)c1ccc(cc1[Cl])[Cl])=O)O |
| Stereo: | ACHIRAL |
| logP: | 5.8289 |
| logD: | 4.8953 |
| logSw: | -5.7612 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.243 |
| InChI Key: | KTUOVBCXFRCBPU-UHFFFAOYSA-N |