N-(3-bromophenyl)-2-[4-(butan-2-yl)-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
Chemical Structure Depiction of
N-(3-bromophenyl)-2-[4-(butan-2-yl)-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
N-(3-bromophenyl)-2-[4-(butan-2-yl)-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
Compound characteristics
Compound ID: | J016-0738 |
Compound Name: | N-(3-bromophenyl)-2-[4-(butan-2-yl)-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide |
Molecular Weight: | 429.31 |
Molecular Formula: | C20 H21 Br N4 O2 |
Smiles: | CCC(C)c1ccc(c(c1)n1cnnc1)OCC(Nc1cccc(c1)[Br])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.6056 |
logD: | 4.6053 |
logSw: | -4.3654 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.433 |
InChI Key: | KPQLKHNLGUTFDT-AWEZNQCLSA-N |