1-{3-[4-(2,5-dimethylphenyl)piperazin-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-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-4-[(4-fluorophenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-4-[(4-fluorophenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | C741-0536 |
| Compound Name: | 1-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-4-[(4-fluorophenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 538.63 |
| Molecular Formula: | C31 H31 F N6 O2 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CCc1nnc2N(Cc3ccc(cc3)F)C(c3ccccc3n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3146 |
| logD: | 4.3145 |
| logSw: | -4.3537 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.058 |
| InChI Key: | OYHCPNUBDXNSGC-UHFFFAOYSA-N |