2-phenyl-N-[(Z)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide
Formula:C31H26N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-phenyl-N-[(Z)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-phenyl-N-[(Z)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide |
| MolecularFormula | C31H26N4O2 |
| Smiles | O=C(Cc1ccccc1)N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C31H26N4O2/c36-30(20-24-10-4-1-5-11-24)33-32-21-27-22-35(28-14-8-3-9-15-28)34-31(27)26-16-18-29(19-17-26)37-23-25-12-6-2-7-13-25/h1-19,21-22H,20,23H2,(H,33,36) |
| InChIK | XTZRTSUMLQHEFU-UHFFFAOYSA-N |
| TotalMolweight | 486.573 |
| Molweight | 486.573 |
| MonoisotopicMass | 486.205576 |
| CLogP | 5.4668 |
| CLogS | -6.54 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 391.75 |
| Relative PSA | 0.16299 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | 5.55 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56757 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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