8-[(dimethylamino)methyl]-7-hydroxy-3-(4-methoxyphenoxy)-2-(trifluoromethyl)-4H-1-benzopyran-4-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
8-[(dimethylamino)methyl]-7-hydroxy-3-(4-methoxyphenoxy)-2-(trifluoromethyl)-4H-1-benzopyran-4-one--hydrogen chloride (1/1)
8-[(dimethylamino)methyl]-7-hydroxy-3-(4-methoxyphenoxy)-2-(trifluoromethyl)-4H-1-benzopyran-4-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 4491-1023 |
| Compound Name: | 8-[(dimethylamino)methyl]-7-hydroxy-3-(4-methoxyphenoxy)-2-(trifluoromethyl)-4H-1-benzopyran-4-one--hydrogen chloride (1/1) |
| Molecular Weight: | 445.82 |
| Molecular Formula: | C20 H18 F3 N O5 |
| Salt: | HCl |
| Smiles: | CN(C)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)Oc1ccc(cc1)OC)=O)O |
| Stereo: | ACHIRAL |
| logP: | 3.652 |
| logD: | 2.876 |
| logSw: | -3.707 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.28 |
| InChI Key: | XBZIXOMHNATNQK-UHFFFAOYSA-N |