1-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-4-(3-methylbutyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
1-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-4-(3-methylbutyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-4-(3-methylbutyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | C741-1117 |
| Compound Name: | 1-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-4-(3-methylbutyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 500.64 |
| Molecular Formula: | C29 H36 N6 O2 |
| Smiles: | CC(C)CCN1C(c2ccccc2n2c(CCC(N3CCN(CC3)c3cc(C)ccc3C)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2621 |
| logD: | 4.2621 |
| logSw: | -4.2709 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.308 |
| InChI Key: | HDOBWFLYYVBLKG-UHFFFAOYSA-N |