3-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one
Chemical Structure Depiction of
3-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one
3-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one
Compound characteristics
| Compound ID: | E717-0712 |
| Compound Name: | 3-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one |
| Molecular Weight: | 455.44 |
| Molecular Formula: | C23 H20 F3 N5 O2 |
| Smiles: | C1CN(CCN1C(CN1C(c2c(C=N1)c1ccccc1[nH]2)=O)=O)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 2.6426 |
| logD: | 2.6426 |
| logSw: | -3.2515 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.093 |
| InChI Key: | BPXWYNSIJGNLAP-UHFFFAOYSA-N |