4-[3-(2-hydroxyethyl)-2-{[3-(trifluoromethyl)phenyl]imino}-2,3-dihydro-1,3-thiazol-4-yl]phenyl benzoate--hydrogen bromide (1/1)
Chemical Structure Depiction of
4-[3-(2-hydroxyethyl)-2-{[3-(trifluoromethyl)phenyl]imino}-2,3-dihydro-1,3-thiazol-4-yl]phenyl benzoate--hydrogen bromide (1/1)
4-[3-(2-hydroxyethyl)-2-{[3-(trifluoromethyl)phenyl]imino}-2,3-dihydro-1,3-thiazol-4-yl]phenyl benzoate--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8009-2581 |
| Compound Name: | 4-[3-(2-hydroxyethyl)-2-{[3-(trifluoromethyl)phenyl]imino}-2,3-dihydro-1,3-thiazol-4-yl]phenyl benzoate--hydrogen bromide (1/1) |
| Molecular Weight: | 565.41 |
| Molecular Formula: | C25 H19 F3 N2 O3 S |
| Salt: | HBr |
| Smiles: | C(CO)N1C(=CSC/1=N/c1cccc(c1)C(F)(F)F)c1ccc(cc1)OC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7393 |
| logD: | 5.739 |
| logSw: | -6.0934 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.586 |
| InChI Key: | QRNWJTOYFCJJJH-OLFWJLLRSA-N |