3-{2-[(4-bromo-2-fluorophenyl)-N-methylcarbamamido]ethyl}-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
3-{2-[(4-bromo-2-fluorophenyl)-N-methylcarbamamido]ethyl}-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
3-{2-[(4-bromo-2-fluorophenyl)-N-methylcarbamamido]ethyl}-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | L080-0258 |
| Compound Name: | 3-{2-[(4-bromo-2-fluorophenyl)-N-methylcarbamamido]ethyl}-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 490.33 |
| Molecular Formula: | C21 H21 Br F N5 O3 |
| Smiles: | Cc1ccc(CNC(c2nc(CCN(C)C(Nc3ccc(cc3F)[Br])=O)no2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9719 |
| logD: | 3.9701 |
| logSw: | -3.999 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.843 |
| InChI Key: | KGBXJDVLYSVQPM-UHFFFAOYSA-N |