(Z)-N-morpholin-4-yl-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanimine
Formula:C18H18N4OS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(Z)-N-morpholin-4-yl-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanimine is a drug-like molecule.
| MolName | (Z)-N-morpholin-4-yl-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanimine |
| MolecularFormula | C18H18N4OS |
| Smiles | C(COCC1)N1/N=C\c1cn(-c2ccccc2)nc1-c1cccs1 |
| InChI | InChI=1S/C18H18N4OS/c1-2-5-16(6-3-1)22-14-15(13-19-21-8-10-23-11-9-21)18(20-22)17-7-4-12-24-17/h1-7,12-14H,8-11H2 |
| InChIK | YSQXYFAFKIICQW-UHFFFAOYSA-N |
| TotalMolweight | 338.434 |
| Molweight | 338.434 |
| MonoisotopicMass | 338.120131 |
| CLogP | 2.434 |
| CLogS | -3.265 |
| H Acceptors | 5 |
| TotalSurfaceArea | 263.28 |
| Relative PSA | 0.24028 |
| PolarSurfaceArea | 70.89 |
| Druglikeness | 4.7895 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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