1-[3-(4-benzylpiperazin-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-benzylpiperazin-1-yl)-3-oxopropyl]-4-(3-methylbutyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-(3-methylbutyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | C741-1105 |
| Compound Name: | 1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-(3-methylbutyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 486.62 |
| Molecular Formula: | C28 H34 N6 O2 |
| Smiles: | CC(C)CCN1C(c2ccccc2n2c(CCC(N3CCN(CC3)Cc3ccccc3)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7852 |
| logD: | 2.7523 |
| logSw: | -3.5288 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.889 |
| InChI Key: | XNWWVZBHPOREKL-UHFFFAOYSA-N |