(E)-N-benzyl-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
Formula:C26H20N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-benzyl-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-benzyl-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide |
| MolecularFormula | C26H20N4O |
| Smiles | N#C/C(/C(NCc1ccccc1)=O)=C\c1cn(-c2ccccc2)nc1-c1ccccc1 |
| InChI | InChI=1S/C26H20N4O/c27-17-22(26(31)28-18-20-10-4-1-5-11-20)16-23-19-30(24-14-8-3-9-15-24)29-25(23)21-12-6-2-7-13-21/h1-16,19H,18H2,(H,28,31) |
| InChIK | LCQCRBOSFUSBRN-UHFFFAOYSA-N |
| TotalMolweight | 404.472 |
| Molweight | 404.472 |
| MonoisotopicMass | 404.163711 |
| CLogP | 3.6167 |
| CLogS | -5.099 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 329.89 |
| Relative PSA | 0.16945 |
| PolarSurfaceArea | 70.71 |
| Druglikeness | 0.83508 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-benzyl-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide | 2 - (E)-N-benzyl-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off