2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
Formula:C23H19N3O3BrF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide |
| MolecularFormula | C23H19N3O3BrF3S |
| Smiles | O=C(CN(Cc(cc1)ccc1Br)S(c1ccccc1)(=O)=O)N/N=C\c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C23H19BrF3N3O3S/c24-19-12-10-17(11-13-19)15-30(34(32,33)20-7-2-1-3-8-20)16-22(31)29-28-14-18-6-4-5-9-21(18)23(25,26)27/h1-14H,15-16H2,(H,29,31) |
| InChIK | QHOVYBOYHCQKGP-UHFFFAOYSA-N |
| TotalMolweight | 554.386 |
| Molweight | 554.386 |
| MonoisotopicMass | 553.028257 |
| CLogP | 5.0567 |
| CLogS | -5.557 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 361.24 |
| Relative PSA | 0.18863 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | -12.01 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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1 - 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide | 2 - 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
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