4-(3-methylbutyl)-1-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
4-(3-methylbutyl)-1-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
4-(3-methylbutyl)-1-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | C741-1124 |
| Compound Name: | 4-(3-methylbutyl)-1-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 540.59 |
| Molecular Formula: | C28 H31 F3 N6 O2 |
| Smiles: | CC(C)CCN1C(c2ccccc2n2c(CCC(N3CCN(CC3)c3cccc(c3)C(F)(F)F)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9049 |
| logD: | 3.9049 |
| logSw: | -4.1108 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.609 |
| InChI Key: | VSJSMEVJVBOCGT-UHFFFAOYSA-N |