3-[3-(2-methoxyphenyl)-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}propan-1-one
Chemical Structure Depiction of
3-[3-(2-methoxyphenyl)-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}propan-1-one
3-[3-(2-methoxyphenyl)-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}propan-1-one
Compound characteristics
| Compound ID: | P218-3130 |
| Compound Name: | 3-[3-(2-methoxyphenyl)-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}propan-1-one |
| Molecular Weight: | 511.5 |
| Molecular Formula: | C26 H24 F3 N5 O3 |
| Smiles: | COc1ccccc1c1nc(CCC(N2CCCn3c(C2)cc(c2ccc(cc2)C(F)(F)F)n3)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.6363 |
| logD: | 4.6363 |
| logSw: | -4.513 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.863 |
| InChI Key: | GVRVJGWDMNTMSM-UHFFFAOYSA-N |