1-{3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-4-{[3-(trifluoromethyl)phenyl]methyl}-1,4-diazepane
Chemical Structure Depiction of
1-{3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-4-{[3-(trifluoromethyl)phenyl]methyl}-1,4-diazepane
1-{3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-4-{[3-(trifluoromethyl)phenyl]methyl}-1,4-diazepane
Compound characteristics
| Compound ID: | P891-0196 |
| Compound Name: | 1-{3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-4-{[3-(trifluoromethyl)phenyl]methyl}-1,4-diazepane |
| Molecular Weight: | 445.49 |
| Molecular Formula: | C23 H26 F3 N5 O |
| Smiles: | CC(C)c1nc(c2cccnc2N2CCCN(CC2)Cc2cccc(c2)C(F)(F)F)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.9347 |
| logD: | 4.7402 |
| logSw: | -4.5742 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.221 |
| InChI Key: | BILRZQQTQCJWRC-UHFFFAOYSA-N |