2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
Formula:C24H21N3O3BrF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide |
| MolecularFormula | C24H21N3O3BrF3S |
| Smiles | O=C(CN(CCc1ccccc1)S(c(cc1)ccc1Br)(=O)=O)N/N=C\c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C24H21BrF3N3O3S/c25-20-10-12-21(13-11-20)35(33,34)31(15-14-18-6-2-1-3-7-18)17-23(32)30-29-16-19-8-4-5-9-22(19)24(26,27)28/h1-13,16H,14-15,17H2,(H,30,32) |
| InChIK | GGRYEULXOFIGGK-UHFFFAOYSA-N |
| TotalMolweight | 568.413 |
| Molweight | 568.413 |
| MonoisotopicMass | 567.043907 |
| CLogP | 5.4868 |
| CLogS | -5.669 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 375 |
| Relative PSA | 0.18171 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | -4.4307 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.45714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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1 - 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide | 2 - 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
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