[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
Formula:C27H20N2O5F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.
| MolName | [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate |
| MolecularFormula | C27H20N2O5F2 |
| Smiles | O=C(COC(c1c(CC/C2=C\c3ccco3)c2nc2ccccc12)=O)Nc(cccc1)c1OC(F)F |
| InChI | InChI=1S/C27H20F2N2O5/c28-27(29)36-22-10-4-3-9-21(22)30-23(32)15-35-26(33)24-18-7-1-2-8-20(18)31-25-16(11-12-19(24)25)14-17-6-5-13-34-17/h1-10,13-14,27H,11-12,15H2,(H,30,32) |
| InChIK | CRJBVNVIMJNVSE-UHFFFAOYSA-N |
| TotalMolweight | 490.461 |
| Molweight | 490.461 |
| MonoisotopicMass | 490.134029 |
| CLogP | 4.4047 |
| CLogS | -6.249 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 360.48 |
| Relative PSA | 0.22919 |
| PolarSurfaceArea | 90.66 |
| Druglikeness | -1.1945 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 6 |
| Symmetricatoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate | 2 - [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
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