N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide
Formula:C23H17N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide |
| MolecularFormula | C23H17N5OS |
| Smiles | O=C(c1c[nH]c2c1cccc2)N/N=C\c1cn(-c2ccccc2)nc1-c1cccs1 |
| InChI | InChI=1S/C23H17N5OS/c29-23(19-14-24-20-10-5-4-9-18(19)20)26-25-13-16-15-28(17-7-2-1-3-8-17)27-22(16)21-11-6-12-30-21/h1-15,24H,(H,26,29) |
| InChIK | SMHWUZXQDIBJLX-UHFFFAOYSA-N |
| TotalMolweight | 411.488 |
| Molweight | 411.488 |
| MonoisotopicMass | 411.11538 |
| CLogP | 4.1835 |
| CLogS | -5.68 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 314.58 |
| Relative PSA | 0.28037 |
| PolarSurfaceArea | 103.31 |
| Druglikeness | 7.875 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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