1-{3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-4-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
1-{3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-4-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-{3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-4-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | C741-0474 |
| Compound Name: | 1-{3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-4-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 524.6 |
| Molecular Formula: | C30 H29 F N6 O2 |
| Smiles: | Cc1ccc(CN2C(c3ccccc3n3c(CCC(N4CCN(CC4)c4ccccc4F)=O)nnc23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7295 |
| logD: | 3.7295 |
| logSw: | -4.0027 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.058 |
| InChI Key: | XBLDETPEDVTOHF-UHFFFAOYSA-N |