(2Z)-2-[(4-chlorobenzoyl)hydrazinylidene]-N,4-diphenyl-1,3-thiazole-3-carboxamide
Formula:C23H17N4O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(4-chlorobenzoyl)hydrazinylidene]-N,4-diphenyl-1,3-thiazole-3-carboxamide is not a drug-like molecule.
| MolName | (2Z)-2-[(4-chlorobenzoyl)hydrazinylidene]-N,4-diphenyl-1,3-thiazole-3-carboxamide |
| MolecularFormula | C23H17N4O2ClS |
| Smiles | O=C(c(cc1)ccc1Cl)N/N=C1\SC=C(c2ccccc2)N1C(Nc1ccccc1)=O |
| InChI | InChI=1S/C23H17ClN4O2S/c24-18-13-11-17(12-14-18)21(29)26-27-23-28(22(30)25-19-9-5-2-6-10-19)20(15-31-23)16-7-3-1-4-8-16/h1-15H,(H,25,30)(H,26,29) |
| InChIK | AXWURPDCVHZJJB-UHFFFAOYSA-N |
| TotalMolweight | 448.933 |
| Molweight | 448.933 |
| MonoisotopicMass | 448.076073 |
| CLogP | 5.9746 |
| CLogS | -6.944 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 328.59 |
| Relative PSA | 0.24818 |
| PolarSurfaceArea | 99.1 |
| Druglikeness | 5.241 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
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1 - (2Z)-2-[(4-chlorobenzoyl)hydrazinylidene]-N,4-diphenyl-1,3-thiazole-3-carboxamide | 2 - (2Z)-2-[(4-chlorobenzoyl)hydrazinylidene]-N,4-diphenyl-1,3-thiazole-3-carboxamide
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