3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | SA52-0200 |
| Compound Name: | 3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 425.45 |
| Molecular Formula: | C20 H26 F3 N5 O2 |
| Smiles: | CC(C)CN1CCCN(CC1c1nc(C)no1)C(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1426 |
| logD: | 3.8598 |
| logSw: | -4.1992 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.934 |
| InChI Key: | BXWHERYDIYFHEI-KRWDZBQOSA-N |