1-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-4-[(4-fluorophenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
1-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-4-[(4-fluorophenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-4-[(4-fluorophenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | C741-0519 |
| Compound Name: | 1-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-4-[(4-fluorophenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 516.62 |
| Molecular Formula: | C29 H33 F N6 O2 |
| Smiles: | C1CCC(CC1)N1CCN(CC1)C(CCc1nnc2N(Cc3ccc(cc3)F)C(c3ccccc3n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1784 |
| logD: | 2.8799 |
| logSw: | -3.6258 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.192 |
| InChI Key: | DKKVVVVSGKSGGI-UHFFFAOYSA-N |