4-(3-[2-(4-sulfamoylphenyl)ethyl]-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-(4-sulfamoylphenyl)ethyl]-2-{[3-(trifluoromethyl)phenyl]imino}-2,3-dihydro-1,3-thiazol-4-yl)phenyl benzoate--hydrogen bromide (1/1)
4-(3-[2-(4-sulfamoylphenyl)ethyl]-2-{[3-(trifluoromethyl)phenyl]imino}-2,3-dihydro-1,3-thiazol-4-yl)phenyl benzoate--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8009-3175 |
| Compound Name: | 4-(3-[2-(4-sulfamoylphenyl)ethyl]-2-{[3-(trifluoromethyl)phenyl]imino}-2,3-dihydro-1,3-thiazol-4-yl)phenyl benzoate--hydrogen bromide (1/1) |
| Molecular Weight: | 704.58 |
| Molecular Formula: | C31 H24 F3 N3 O4 S2 |
| Salt: | HBr |
| Smiles: | C(CN1C(=CSC/1=N/c1cccc(c1)C(F)(F)F)c1ccc(cc1)OC(c1ccccc1)=O)c1ccc(cc1)S(N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5828 |
| logD: | 6.5819 |
| logSw: | -6.4032 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.262 |
| InChI Key: | VLLCXYISNZCXKM-BBTNWVSFSA-N |