2-{[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
2-{[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
Compound ID: | 8012-2842 |
Compound Name: | 2-{[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide |
Molecular Weight: | 472.28 |
Molecular Formula: | C17 H13 Br F3 N5 O S |
Smiles: | C(C(Nc1cccc(c1)C(F)(F)F)=O)Sc1nnc(c2ccc(cc2)[Br])n1N |
Stereo: | ACHIRAL |
logP: | 4.4316 |
logD: | 4.4311 |
logSw: | -4.5639 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 65.289 |
InChI Key: | JHXXLYDNTAPXCZ-UHFFFAOYSA-N |