4-[(4Z)-5-oxo-4-[(4-phenylmethoxyphenyl)methylidene]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
Formula:C24H18N3O4F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-[(4Z)-5-oxo-4-[(4-phenylmethoxyphenyl)methylidene]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is not a drug-like molecule.
| MolName | 4-[(4Z)-5-oxo-4-[(4-phenylmethoxyphenyl)methylidene]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide |
| MolecularFormula | C24H18N3O4F3S |
| Smiles | NS(c(cc1)ccc1N(C1=O)N=C(C(F)(F)F)/C1=C/c(cc1)ccc1OCc1ccccc1)(=O)=O |
| InChI | InChI=1S/C24H18F3N3O4S/c25-24(26,27)22-21(23(31)30(29-22)18-8-12-20(13-9-18)35(28,32)33)14-16-6-10-19(11-7-16)34-15-17-4-2-1-3-5-17/h1-14H,15H2,(H2,28,32,33) |
| InChIK | AVFOSCKNODICTN-UHFFFAOYSA-N |
| TotalMolweight | 501.484 |
| Molweight | 501.484 |
| MonoisotopicMass | 501.097011 |
| CLogP | 4.1602 |
| CLogS | -5.417 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 345.33 |
| Relative PSA | 0.23731 |
| PolarSurfaceArea | 110.44 |
| Druglikeness | -14.447 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 9 |
| Amides | 1 |
| StereoCon |
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