4-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-7-methoxy-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3(2H,4H)-dione
Chemical Structure Depiction of
4-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-7-methoxy-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3(2H,4H)-dione
4-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-7-methoxy-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3(2H,4H)-dione
Compound characteristics
| Compound ID: | 2512-2443 |
| Compound Name: | 4-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-7-methoxy-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3(2H,4H)-dione |
| Molecular Weight: | 548.52 |
| Molecular Formula: | C29 H23 F3 N4 O4 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)N/C=C1C(N(C(c2cc(ccc/12)OC)=O)c1ccccc1C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4428 |
| logD: | 3.2274 |
| logSw: | -4.0663 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.467 |
| InChI Key: | AZIHTBLOZRUYNX-UHFFFAOYSA-N |