N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
Formula:C26H21N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide |
| MolecularFormula | C26H21N5O |
| Smiles | O=C(c1cc(-c2ccccc2)n[nH]1)N/N=C\c1cn(Cc2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C26H21N5O/c32-26(24-15-23(28-29-24)20-11-5-2-6-12-20)30-27-16-21-18-31(17-19-9-3-1-4-10-19)25-14-8-7-13-22(21)25/h1-16,18H,17H2,(H,28,29)(H,30,32) |
| InChIK | YEKZZHMRHLCNHV-UHFFFAOYSA-N |
| TotalMolweight | 419.487 |
| Molweight | 419.487 |
| MonoisotopicMass | 419.17461 |
| CLogP | 4.4291 |
| CLogS | -5.074 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 332.4 |
| Relative PSA | 0.20409 |
| PolarSurfaceArea | 75.07 |
| Druglikeness | 6.98 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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