(E)-N-cyclohexyl-3-phenyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]prop-2-enamide
Formula:C28H29N2OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-cyclohexyl-3-phenyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-cyclohexyl-3-phenyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]prop-2-enamide |
| MolecularFormula | C28H29N2OF3 |
| Smiles | O=C(/C=C/c1ccccc1)N(Cc1cccn1Cc1cccc(C(F)(F)F)c1)C1CCCCC1 |
| InChI | InChI=1S/C28H29F3N2O/c29-28(30,31)24-12-7-11-23(19-24)20-32-18-8-15-26(32)21-33(25-13-5-2-6-14-25)27(34)17-16-22-9-3-1-4-10-22/h1,3-4,7-12,15-19,25H,2,5-6,13-14,20-21H2 |
| InChIK | DLZNNCWEQNVTAA-UHFFFAOYSA-N |
| TotalMolweight | 466.545 |
| Molweight | 466.545 |
| MonoisotopicMass | 466.223197 |
| CLogP | 5.783 |
| CLogS | -4.805 |
| H Acceptors | 3 |
| TotalSurfaceArea | 361.31 |
| Relative PSA | 0.06493 |
| PolarSurfaceArea | 25.24 |
| Druglikeness | -9.9759 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-N-cyclohexyl-3-phenyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]prop-2-enamide | 2 - (E)-N-cyclohexyl-3-phenyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]prop-2-enamide
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