1-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-4-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
1-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-4-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-4-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | C741-0785 |
| Compound Name: | 1-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-4-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 524.6 |
| Molecular Formula: | C30 H29 F N6 O2 |
| Smiles: | C(Cc1nnc2N(CCc3ccccc3)C(c3ccccc3n12)=O)C(N1CCN(CC1)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3773 |
| logD: | 3.3773 |
| logSw: | -3.8937 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.338 |
| InChI Key: | AKRQGGHIIMKEHE-UHFFFAOYSA-N |