5-methyl-7-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Chemical Structure Depiction of
5-methyl-7-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
5-methyl-7-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Compound characteristics
| Compound ID: | C785-1711 |
| Compound Name: | 5-methyl-7-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one |
| Molecular Weight: | 475.49 |
| Molecular Formula: | C22 H20 F3 N5 O2 S |
| Smiles: | CC1=NN(CC(N2CCN(CC2)c2cccc(c2)C(F)(F)F)=O)C(c2cc3c(ccs3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1034 |
| logD: | 3.1034 |
| logSw: | -3.1913 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.047 |
| InChI Key: | AFTDSHIAFOVDPF-UHFFFAOYSA-N |