4-chloro-N-[(Z)-[3-[4-(difluoromethoxy)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]benzamide
Formula:C24H17N4O2ClF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-N-[(Z)-[3-[4-(difluoromethoxy)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-chloro-N-[(Z)-[3-[4-(difluoromethoxy)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]benzamide |
| MolecularFormula | C24H17N4O2ClF2 |
| Smiles | O=C(c(cc1)ccc1Cl)N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1OC(F)F |
| InChI | InChI=1S/C24H17ClF2N4O2/c25-19-10-6-17(7-11-19)23(32)29-28-14-18-15-31(20-4-2-1-3-5-20)30-22(18)16-8-12-21(13-9-16)33-24(26)27/h1-15,24H,(H,29,32) |
| InChIK | HVDQHXNTPYSIOG-UHFFFAOYSA-N |
| TotalMolweight | 466.874 |
| Molweight | 466.874 |
| MonoisotopicMass | 466.100809 |
| CLogP | 4.896 |
| CLogS | -6.592 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 345.09 |
| Relative PSA | 0.18502 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | 3.0052 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 4-chloro-N-[(Z)-[3-[4-(difluoromethoxy)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]benzamide | 2 - 4-chloro-N-[(Z)-[3-[4-(difluoromethoxy)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]benzamide
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