N'-(4-bromophenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]benzenecarboximidamide
Formula:C20H14N2O3BrF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(4-bromophenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]benzenecarboximidamide is not a drug-like molecule.
| MolName | N'-(4-bromophenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]benzenecarboximidamide |
| MolecularFormula | C20H14N2O3BrF3S |
| Smiles | O=S(c(cc1)ccc1Br)(/N=C(\c1ccccc1)/Nc(cc1)ccc1OC(F)(F)F)=O |
| InChI | InChI=1S/C20H14BrF3N2O3S/c21-15-6-12-18(13-7-15)30(27,28)26-19(14-4-2-1-3-5-14)25-16-8-10-17(11-9-16)29-20(22,23)24/h1-13H,(H,25,26) |
| InChIK | LWHFOKFVQWRNIF-UHFFFAOYSA-N |
| TotalMolweight | 499.306 |
| Molweight | 499.306 |
| MonoisotopicMass | 497.986058 |
| CLogP | 5.8339 |
| CLogS | -6.077 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 313.88 |
| Relative PSA | 0.19609 |
| PolarSurfaceArea | 76.14 |
| Druglikeness | -12.165 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 9 |
| BasicNitrogens | 1 |
| StereoCon |
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