4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(4-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]butan-1-one
Compound characteristics
| Compound ID: | P218-3501 |
| Compound Name: | 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(4-methoxyphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]butan-1-one |
| Molecular Weight: | 517.58 |
| Molecular Formula: | C28 H31 N5 O5 |
| Smiles: | COc1ccc(cc1)c1cc2CN(CCCn2n1)C(CCCc1nc(c2ccc(c(c2)OC)OC)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0647 |
| logD: | 4.0647 |
| logSw: | -4.2625 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 84.037 |
| InChI Key: | ORKXVKIHLJIOGZ-UHFFFAOYSA-N |