3-phenyl-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]propanamide
Formula:C23H20N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-phenyl-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]propanamide is a drug-like molecule.
| MolName | 3-phenyl-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]propanamide |
| MolecularFormula | C23H20N4OS |
| Smiles | O=C(CCc1ccccc1)N/N=C\c1cn(-c2ccccc2)nc1-c1cccs1 |
| InChI | InChI=1S/C23H20N4OS/c28-22(14-13-18-8-3-1-4-9-18)25-24-16-19-17-27(20-10-5-2-6-11-20)26-23(19)21-12-7-15-29-21/h1-12,15-17H,13-14H2,(H,25,28) |
| InChIK | OZUCKPCHKMAKQV-UHFFFAOYSA-N |
| TotalMolweight | 400.505 |
| Molweight | 400.505 |
| MonoisotopicMass | 400.135781 |
| CLogP | 4.5966 |
| CLogS | -5.39 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 317.93 |
| Relative PSA | 0.23342 |
| PolarSurfaceArea | 87.52 |
| Druglikeness | 6.0792 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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