3-(4-methoxyphenyl)-5-methyl-1-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one
Chemical Structure Depiction of
3-(4-methoxyphenyl)-5-methyl-1-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one
3-(4-methoxyphenyl)-5-methyl-1-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one
Compound characteristics
| Compound ID: | C448-1109 |
| Compound Name: | 3-(4-methoxyphenyl)-5-methyl-1-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one |
| Molecular Weight: | 561.56 |
| Molecular Formula: | C30 H26 F3 N5 O3 |
| Smiles: | Cn1c2C(N(c3ccc(cc3)OC)N=C(C(N3CCN(CC3)c3cccc(c3)C(F)(F)F)=O)c2c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7886 |
| logD: | 4.7886 |
| logSw: | -5.0654 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.423 |
| InChI Key: | NFGOIYBCLHAEIM-UHFFFAOYSA-N |