8-{[bis(2-methylpropyl)amino]methyl}-7-hydroxy-3-phenyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one--hydrogen bromide (1/1)
Chemical Structure Depiction of
8-{[bis(2-methylpropyl)amino]methyl}-7-hydroxy-3-phenyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one--hydrogen bromide (1/1)
8-{[bis(2-methylpropyl)amino]methyl}-7-hydroxy-3-phenyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 4491-0870 |
| Compound Name: | 8-{[bis(2-methylpropyl)amino]methyl}-7-hydroxy-3-phenyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one--hydrogen bromide (1/1) |
| Molecular Weight: | 528.41 |
| Molecular Formula: | C25 H28 F3 N O3 |
| Salt: | HBr |
| Smiles: | CC(C)CN(CC(C)C)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)c1ccccc1)=O)O |
| Stereo: | ACHIRAL |
| logP: | 6.2619 |
| logD: | 5.1477 |
| logSw: | -5.5094 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.493 |
| InChI Key: | HCIUNUMJMGQVIP-UHFFFAOYSA-N |