(4Z)-4-[[(4,5-diphenyl-1,3-oxazol-2-yl)amino]methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione
Formula:C32H20N3O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[[(4,5-diphenyl-1,3-oxazol-2-yl)amino]methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione is not a drug-like molecule.
| MolName | (4Z)-4-[[(4,5-diphenyl-1,3-oxazol-2-yl)amino]methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione |
| MolecularFormula | C32H20N3O3F3 |
| Smiles | O=C(/C(/c1c2cccc1)=C\Nc1nc(-c3ccccc3)c(-c3ccccc3)o1)N(c1cccc(C(F)(F)F)c1)C2=O |
| InChI | InChI=1S/C32H20F3N3O3/c33-32(34,35)22-14-9-15-23(18-22)38-29(39)25-17-8-7-16-24(25)26(30(38)40)19-36-31-37-27(20-10-3-1-4-11-20)28(41-31)21-12-5-2-6-13-21/h1-19H,(H,36,37) |
| InChIK | ONXKXWPFDWJSHC-UHFFFAOYSA-N |
| TotalMolweight | 551.523 |
| Molweight | 551.523 |
| MonoisotopicMass | 551.145676 |
| CLogP | 6.4358 |
| CLogS | -8.797 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 398.68 |
| Relative PSA | 0.16597 |
| PolarSurfaceArea | 75.44 |
| Druglikeness | -4.1135 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.41463 |
| Fragments | 1 |
| Non HAtoms | 41 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (4Z)-4-[[(4,5-diphenyl-1,3-oxazol-2-yl)amino]methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione | 2 - (4Z)-4-[[(4,5-diphenyl-1,3-oxazol-2-yl)amino]methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione
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