5-methyl-7-(4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butyl)furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Chemical Structure Depiction of
5-methyl-7-(4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butyl)furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
5-methyl-7-(4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butyl)furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Compound characteristics
| Compound ID: | C887-1189 |
| Compound Name: | 5-methyl-7-(4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butyl)furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one |
| Molecular Weight: | 487.48 |
| Molecular Formula: | C24 H24 F3 N5 O3 |
| Smiles: | CC1=NN(CCCC(N2CCN(CC2)c2cccc(c2)C(F)(F)F)=O)C(c2cc3c(cco3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.688 |
| logD: | 2.6866 |
| logSw: | -2.8392 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.479 |
| InChI Key: | IOACJQGOSOCDFN-UHFFFAOYSA-N |