4-[(4-methylphenyl)methyl]-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-[(4-methylphenyl)methyl]-1-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
4-[(4-methylphenyl)methyl]-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: | C741-0479 |
| Compound Name: | 4-[(4-methylphenyl)methyl]-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: | 574.61 |
| Molecular Formula: | C31 H29 F3 N6 O2 |
| Smiles: | Cc1ccc(CN2C(c3ccccc3n3c(CCC(N4CCN(CC4)c4cccc(c4)C(F)(F)F)=O)nnc23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3517 |
| logD: | 4.3516 |
| logSw: | -4.4684 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.359 |
| InChI Key: | NXFNCIVCVOCCKF-UHFFFAOYSA-N |