N-(3-bromophenyl)-3-[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
N-(3-bromophenyl)-3-[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
N-(3-bromophenyl)-3-[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
Compound ID: | P508-0758 |
Compound Name: | N-(3-bromophenyl)-3-[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide |
Molecular Weight: | 425.24 |
Molecular Formula: | C18 H13 Br N6 O2 |
Smiles: | Cc1ccc(cc1)n1cc(c2nc(C(Nc3cccc(c3)[Br])=O)on2)nn1 |
Stereo: | ACHIRAL |
logP: | 4.2452 |
logD: | 4.2406 |
logSw: | -4.2663 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 81.372 |
InChI Key: | CVLLFSWVQYMAMV-UHFFFAOYSA-N |