N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]thiophene-2-carboxamide
Formula:C21H16N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]thiophene-2-carboxamide |
| MolecularFormula | C21H16N4OS |
| Smiles | O=C(c1cccs1)N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1 |
| InChI | InChI=1S/C21H16N4OS/c26-21(19-12-7-13-27-19)23-22-14-17-15-25(18-10-5-2-6-11-18)24-20(17)16-8-3-1-4-9-16/h1-15H,(H,23,26) |
| InChIK | OMLZXXSVADMTMM-UHFFFAOYSA-N |
| TotalMolweight | 372.451 |
| Molweight | 372.451 |
| MonoisotopicMass | 372.104481 |
| CLogP | 3.9872 |
| CLogS | -5.244 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 290.41 |
| Relative PSA | 0.25554 |
| PolarSurfaceArea | 87.52 |
| Druglikeness | 7.412 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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