N-(4-chlorophenyl)-N'-[(Z)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]oxamide
Formula:C31H24N5O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-chlorophenyl)-N'-[(Z)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]oxamide is not a drug-like molecule.
| MolName | N-(4-chlorophenyl)-N'-[(Z)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]oxamide |
| MolecularFormula | C31H24N5O3Cl |
| Smiles | O=C(C(N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1OCc1ccccc1)=O)Nc(cc1)ccc1Cl |
| InChI | InChI=1S/C31H24ClN5O3/c32-25-13-15-26(16-14-25)34-30(38)31(39)35-33-19-24-20-37(27-9-5-2-6-10-27)36-29(24)23-11-17-28(18-12-23)40-21-22-7-3-1-4-8-22/h1-20H,21H2,(H,34,38)(H,35,39) |
| InChIK | XWQKKLUNRBEKLH-UHFFFAOYSA-N |
| TotalMolweight | 550.017 |
| Molweight | 550.017 |
| MonoisotopicMass | 549.156767 |
| CLogP | 5.017 |
| CLogS | -7.115 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 422.62 |
| Relative PSA | 0.20905 |
| PolarSurfaceArea | 97.61 |
| Druglikeness | 4.8236 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.575 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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