N-({4-(4-bromophenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-2-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-({4-(4-bromophenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-2-(trifluoromethyl)benzamide
N-({4-(4-bromophenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-2-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | K400-03857 |
| Compound Name: | N-({4-(4-bromophenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-2-(trifluoromethyl)benzamide |
| Molecular Weight: | 575.41 |
| Molecular Formula: | C25 H18 Br F3 N4 O2 S |
| Smiles: | C(c1nnc(n1c1ccc(cc1)[Br])SCC(c1ccccc1)=O)NC(c1ccccc1C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1205 |
| logD: | 5.1038 |
| logSw: | -5.335 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.62 |
| InChI Key: | HLEUMSJBZRWLEQ-UHFFFAOYSA-N |