[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
Formula:C27H19N2O4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is not a drug-like molecule.
| MolName | [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate |
| MolecularFormula | C27H19N2O4F3 |
| Smiles | O=C(COC(c1c(CC/C2=C\c3ccco3)c2nc2ccccc12)=O)Nc1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C27H19F3N2O4/c28-27(29,30)20-8-2-4-10-22(20)31-23(33)15-36-26(34)24-18-7-1-3-9-21(18)32-25-16(11-12-19(24)25)14-17-6-5-13-35-17/h1-10,13-14H,11-12,15H2,(H,31,33) |
| InChIK | UMPZCIKGMCGBMN-UHFFFAOYSA-N |
| TotalMolweight | 492.452 |
| Molweight | 492.452 |
| MonoisotopicMass | 492.129692 |
| CLogP | 5.0836 |
| CLogS | -6.405 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 354.74 |
| Relative PSA | 0.20471 |
| PolarSurfaceArea | 81.43 |
| Druglikeness | -5.6058 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47222 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate | 2 - [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
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