2-bromo-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)benzamide
Chemical Structure Depiction of
2-bromo-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)benzamide
2-bromo-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)benzamide
Compound characteristics
Compound ID: | D101-0085 |
Compound Name: | 2-bromo-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)benzamide |
Molecular Weight: | 414.3 |
Molecular Formula: | C20 H20 Br N3 O2 |
Smiles: | CC(C)N(Cc1nc(c2cccc(C)c2)no1)C(c1ccccc1[Br])=O |
Stereo: | ACHIRAL |
logP: | 5.0303 |
logD: | 5.0303 |
logSw: | -4.7188 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 47.536 |
InChI Key: | MCWKTBVQVGUIJP-UHFFFAOYSA-N |