1-{4-[3-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}-3,3-dimethylbutan-1-one
Chemical Structure Depiction of
1-{4-[3-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}-3,3-dimethylbutan-1-one
1-{4-[3-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}-3,3-dimethylbutan-1-one
Compound characteristics
| Compound ID: | V017-0133 |
| Compound Name: | 1-{4-[3-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}-3,3-dimethylbutan-1-one |
| Molecular Weight: | 458.56 |
| Molecular Formula: | C26 H30 N6 O2 |
| Salt: | not_available |
| Smiles: | CC(C)(C)CC(N1CCN(CC1)c1nc2ccccc2c2nnc(c3ccc(cc3)OC)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7666 |
| logD: | 4.7055 |
| logSw: | -4.8024 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.737 |
| InChI Key: | IKPWNRQRAVZBNH-UHFFFAOYSA-N |