1-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-4-{[4-(trifluoromethoxy)phenyl]methyl}-1,4-diazepan-1-yl]ethan-1-one
Chemical Structure Depiction of
1-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-4-{[4-(trifluoromethoxy)phenyl]methyl}-1,4-diazepan-1-yl]ethan-1-one
1-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-4-{[4-(trifluoromethoxy)phenyl]methyl}-1,4-diazepan-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | S990-0534 |
| Compound Name: | 1-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-4-{[4-(trifluoromethoxy)phenyl]methyl}-1,4-diazepan-1-yl]ethan-1-one |
| Molecular Weight: | 398.38 |
| Molecular Formula: | C18 H21 F3 N4 O3 |
| Smiles: | CC(N1CCN(CCC1c1nc(C)no1)Cc1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7725 |
| logD: | 2.6471 |
| logSw: | -2.9134 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.418 |
| InChI Key: | LBCOQNMEPIZECM-MRXNPFEDSA-N |