2-[5-(3,5-dichlorophenyl)-1-phenylpyrazol-3-yl]oxy-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]acetamide
Formula:C27H18N4O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[5-(3,5-dichlorophenyl)-1-phenylpyrazol-3-yl]oxy-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[5-(3,5-dichlorophenyl)-1-phenylpyrazol-3-yl]oxy-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]acetamide |
| MolecularFormula | C27H18N4O4Cl2 |
| Smiles | O=C(COc(cc1-c2cc(Cl)cc(Cl)c2)nn1-c1ccccc1)N/N=C\C1=COc(cccc2)c2C1=O |
| InChI | InChI=1S/C27H18Cl2N4O4/c28-19-10-17(11-20(29)12-19)23-13-26(32-33(23)21-6-2-1-3-7-21)37-16-25(34)31-30-14-18-15-36-24-9-5-4-8-22(24)27(18)35/h1-15H,16H2,(H,31,34) |
| InChIK | FBGDKXKWURPVGE-UHFFFAOYSA-N |
| TotalMolweight | 533.37 |
| Molweight | 533.37 |
| MonoisotopicMass | 532.07051 |
| CLogP | 4.3763 |
| CLogS | -7.561 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 388.03 |
| Relative PSA | 0.22393 |
| PolarSurfaceArea | 94.81 |
| Druglikeness | 6.2977 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51351 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-[5-(3,5-dichlorophenyl)-1-phenylpyrazol-3-yl]oxy-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]acetamide | 2 - 2-[5-(3,5-dichlorophenyl)-1-phenylpyrazol-3-yl]oxy-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]acetamide
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