3-[(4-chlorophenyl)methyl]-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
3-[(4-chlorophenyl)methyl]-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8009-4014 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1) |
| Molecular Weight: | 658.99 |
| Molecular Formula: | C27 H23 Cl F3 N3 O2 S2 |
| Salt: | HBr |
| Smiles: | C1CCN(C1)S(c1ccc(cc1)C1=CSC(=N/c2cccc(c2)C(F)(F)F)\N1Cc1ccc(cc1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.4903 |
| logD: | 7.4898 |
| logSw: | -6.9607 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.38 |
| InChI Key: | XWGSDTNAEIDIOE-FSRJSHLRSA-N |