4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-{2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl}butan-1-one
Chemical Structure Depiction of
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-{2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl}butan-1-one
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-{2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl}butan-1-one
Compound characteristics
| Compound ID: | P218-3219 |
| Compound Name: | 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-{2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl}butan-1-one |
| Molecular Weight: | 555.56 |
| Molecular Formula: | C28 H28 F3 N5 O4 |
| Smiles: | COc1ccc(cc1OC)c1nc(CCCC(N2CCCn3c(C2)cc(c2ccc(cc2)C(F)(F)F)n3)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.9551 |
| logD: | 4.9551 |
| logSw: | -4.8284 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 76.493 |
| InChI Key: | MWXJEZGSLXPIJA-UHFFFAOYSA-N |