4,8-dimethyl-2-{[3-(trifluoromethyl)phenyl]methyl}[1,2,4]triazino[4,5-a]indol-1(2H)-one
Chemical Structure Depiction of
4,8-dimethyl-2-{[3-(trifluoromethyl)phenyl]methyl}[1,2,4]triazino[4,5-a]indol-1(2H)-one
4,8-dimethyl-2-{[3-(trifluoromethyl)phenyl]methyl}[1,2,4]triazino[4,5-a]indol-1(2H)-one
Compound characteristics
| Compound ID: | C888-0466 |
| Compound Name: | 4,8-dimethyl-2-{[3-(trifluoromethyl)phenyl]methyl}[1,2,4]triazino[4,5-a]indol-1(2H)-one |
| Molecular Weight: | 371.36 |
| Molecular Formula: | C20 H16 F3 N3 O |
| Smiles: | CC1=NN(Cc2cccc(c2)C(F)(F)F)C(c2cc3cc(C)ccc3n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7165 |
| logD: | 4.7074 |
| logSw: | -4.7691 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 29.3759 |
| InChI Key: | RMEHIAAJJFIXNA-UHFFFAOYSA-N |