(Z)-N-(3-imidazol-1-ylpropyl)-2,3-diphenylprop-2-enamide
Formula:C21H21N3O
Mutagenic:none
Tumorigenic:low
Reproductive Effective:high
(Z)-N-(3-imidazol-1-ylpropyl)-2,3-diphenylprop-2-enamide is a drug-like molecule.
| MolName | (Z)-N-(3-imidazol-1-ylpropyl)-2,3-diphenylprop-2-enamide |
| MolecularFormula | C21H21N3O |
| Smiles | O=C(/C(/c1ccccc1)=C\c1ccccc1)NCCCn1cncc1 |
| InChI | InChI=1S/C21H21N3O/c25-21(23-12-7-14-24-15-13-22-17-24)20(19-10-5-2-6-11-19)16-18-8-3-1-4-9-18/h1-6,8-11,13,15-17H,7,12,14H2,(H,23,25) |
| InChIK | QOWIRLSILZMXJE-UHFFFAOYSA-N |
| TotalMolweight | 331.418 |
| Molweight | 331.418 |
| MonoisotopicMass | 331.168462 |
| CLogP | 2.8565 |
| CLogS | -2.633 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 275.94 |
| Relative PSA | 0.15344 |
| PolarSurfaceArea | 46.92 |
| Druglikeness | 5.934 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-N-(3-imidazol-1-ylpropyl)-2,3-diphenylprop-2-enamide | 2 - (Z)-N-(3-imidazol-1-ylpropyl)-2,3-diphenylprop-2-enamide
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