8-(4-benzylpiperazine-1-carbonyl)-3-(4-chlorophenyl)[1,2,3]triazolo[1,5-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
8-(4-benzylpiperazine-1-carbonyl)-3-(4-chlorophenyl)[1,2,3]triazolo[1,5-a]quinazolin-5(4H)-one
8-(4-benzylpiperazine-1-carbonyl)-3-(4-chlorophenyl)[1,2,3]triazolo[1,5-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | E543-0315 |
| Compound Name: | 8-(4-benzylpiperazine-1-carbonyl)-3-(4-chlorophenyl)[1,2,3]triazolo[1,5-a]quinazolin-5(4H)-one |
| Molecular Weight: | 498.97 |
| Molecular Formula: | C27 H23 Cl N6 O2 |
| Smiles: | C1CN(CCN1Cc1ccccc1)C(c1ccc2C(Nc3c(c4ccc(cc4)[Cl])nnn3c2c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2275 |
| logD: | 3.212 |
| logSw: | -3.9309 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.419 |
| InChI Key: | ZBFSRDFNHLBDHA-UHFFFAOYSA-N |