3-(4-phenylpiperazin-1-yl)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]propanamide
Formula:C27H28N6OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(4-phenylpiperazin-1-yl)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]propanamide is a drug-like molecule.
| MolName | 3-(4-phenylpiperazin-1-yl)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]propanamide |
| MolecularFormula | C27H28N6OS |
| Smiles | O=C(CCN(CC1)CCN1c1ccccc1)N/N=C\c1cn(-c2ccccc2)nc1-c1cccs1 |
| InChI | InChI=1S/C27H28N6OS/c34-26(13-14-31-15-17-32(18-16-31)23-8-3-1-4-9-23)29-28-20-22-21-33(24-10-5-2-6-11-24)30-27(22)25-12-7-19-35-25/h1-12,19-21H,13-18H2,(H,29,34) |
| InChIK | GRIMRUQLJYEYTQ-UHFFFAOYSA-N |
| TotalMolweight | 484.626 |
| Molweight | 484.626 |
| MonoisotopicMass | 484.204529 |
| CLogP | 4.0218 |
| CLogS | -4.792 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 380.07 |
| Relative PSA | 0.21393 |
| PolarSurfaceArea | 94 |
| Druglikeness | 12.019 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 3-(4-phenylpiperazin-1-yl)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]propanamide | 2 - 3-(4-phenylpiperazin-1-yl)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]propanamide
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