(E)-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-3-phenylprop-2-enamide
Formula:C27H29N2OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-3-phenylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-3-phenylprop-2-enamide |
| MolecularFormula | C27H29N2OBr |
| Smiles | O=C(/C=C/c1ccccc1)N(Cc1cccn1Cc(cc1)ccc1Br)C1CCCCC1 |
| InChI | InChI=1S/C27H29BrN2O/c28-24-16-13-23(14-17-24)20-29-19-7-12-26(29)21-30(25-10-5-2-6-11-25)27(31)18-15-22-8-3-1-4-9-22/h1,3-4,7-9,12-19,25H,2,5-6,10-11,20-21H2 |
| InChIK | UTUJIIZPBHDSHY-UHFFFAOYSA-N |
| TotalMolweight | 477.444 |
| Molweight | 477.444 |
| MonoisotopicMass | 476.146324 |
| CLogP | 5.6599 |
| CLogS | -4.861 |
| H Acceptors | 3 |
| TotalSurfaceArea | 350.48 |
| Relative PSA | 0.066937 |
| PolarSurfaceArea | 25.24 |
| Druglikeness | -4.5759 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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