2-chloro-N-[2-oxo-2-[(2Z)-2-[[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylidene]hydrazinyl]ethyl]benzamide
Formula:C32H26N5O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-[2-oxo-2-[(2Z)-2-[[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylidene]hydrazinyl]ethyl]benzamide is not a drug-like molecule.
| MolName | 2-chloro-N-[2-oxo-2-[(2Z)-2-[[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylidene]hydrazinyl]ethyl]benzamide |
| MolecularFormula | C32H26N5O3Cl |
| Smiles | O=C(CNC(c(cccc1)c1Cl)=O)N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C32H26ClN5O3/c33-29-14-8-7-13-28(29)32(40)34-20-30(39)36-35-19-25-21-38(26-11-5-2-6-12-26)37-31(25)24-15-17-27(18-16-24)41-22-23-9-3-1-4-10-23/h1-19,21H,20,22H2,(H,34,40)(H,36,39) |
| InChIK | DEVNZIPAMIBABX-UHFFFAOYSA-N |
| TotalMolweight | 564.043 |
| Molweight | 564.043 |
| MonoisotopicMass | 563.172417 |
| CLogP | 5.1584 |
| CLogS | -7.078 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 436.38 |
| Relative PSA | 0.20246 |
| PolarSurfaceArea | 97.61 |
| Druglikeness | 6.5055 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56098 |
| Fragments | 1 |
| Non HAtoms | 41 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 10 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-chloro-N-[2-oxo-2-[(2Z)-2-[[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylidene]hydrazinyl]ethyl]benzamide | 2 - 2-chloro-N-[2-oxo-2-[(2Z)-2-[[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylidene]hydrazinyl]ethyl]benzamide
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