4-methyl-6-(1-oxo-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butan-2-yl)pyrimido[1,2-b]indazol-2(6H)-one
Chemical Structure Depiction of
4-methyl-6-(1-oxo-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butan-2-yl)pyrimido[1,2-b]indazol-2(6H)-one
4-methyl-6-(1-oxo-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butan-2-yl)pyrimido[1,2-b]indazol-2(6H)-one
Compound characteristics
| Compound ID: | E005-0633 |
| Compound Name: | 4-methyl-6-(1-oxo-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butan-2-yl)pyrimido[1,2-b]indazol-2(6H)-one |
| Molecular Weight: | 497.52 |
| Molecular Formula: | C26 H26 F3 N5 O2 |
| Smiles: | CCC(C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O)N1c2ccccc2C2=NC(C=C(C)N12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.939 |
| logD: | 3.939 |
| logSw: | -4.0733 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.517 |
| InChI Key: | PEQVCIQLXICHFM-NRFANRHFSA-N |