(E)-N-cyclopropyl-N-[2-[4-(4-fluorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-phenylprop-2-enamide
Formula:C31H26N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-cyclopropyl-N-[2-[4-(4-fluorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-phenylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-cyclopropyl-N-[2-[4-(4-fluorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-phenylprop-2-enamide |
| MolecularFormula | C31H26N3O2F |
| Smiles | O=C(CN(C1CC1)C(/C=C/c1ccccc1)=O)N(C1c(cc2)ccc2F)c(cccc2)c2-n2c1ccc2 |
| InChI | InChI=1S/C31H26FN3O2/c32-24-15-13-23(14-16-24)31-28-11-6-20-33(28)26-9-4-5-10-27(26)35(31)30(37)21-34(25-17-18-25)29(36)19-12-22-7-2-1-3-8-22/h1-16,19-20,25,31H,17-18,21H2/t31-/m1/s1 |
| InChIK | ZOQFHTQSFYHDQB-WJOKGBTCSA-N |
| TotalMolweight | 491.564 |
| Molweight | 491.564 |
| MonoisotopicMass | 491.200905 |
| CLogP | 5.1454 |
| CLogS | -7.791 |
| H Acceptors | 5 |
| TotalSurfaceArea | 369.97 |
| Relative PSA | 0.10825 |
| PolarSurfaceArea | 45.55 |
| Druglikeness | 1.5014 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.45946 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-N-cyclopropyl-N-[2-[4-(4-fluorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-phenylprop-2-enamide | 2 - (E)-N-cyclopropyl-N-[2-[4-(4-fluorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-phenylprop-2-enamide
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