1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-{3-[(propan-2-yl)oxy]propyl}[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-[(propan-2-yl)oxy]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-{3-[(propan-2-yl)oxy]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | C741-1181 |
| Compound Name: | 1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-{3-[(propan-2-yl)oxy]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 516.64 |
| Molecular Formula: | C29 H36 N6 O3 |
| Smiles: | CC(C)OCCCN1C(c2ccccc2n2c(CCC(N3CCN(CC3)Cc3ccccc3)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8748 |
| logD: | 1.8418 |
| logSw: | -2.6894 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.09 |
| InChI Key: | QZLRPSLODGIQHA-UHFFFAOYSA-N |