2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]acetamide
Formula:C23H20N3O3BrCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C23H20N3O3BrCl2S |
| Smiles | O=C(CN(CCc1ccccc1)S(c(cc1)ccc1Br)(=O)=O)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C23H20BrCl2N3O3S/c24-18-9-11-19(12-10-18)33(31,32)29(14-13-17-5-2-1-3-6-17)16-23(30)28-27-15-20-21(25)7-4-8-22(20)26/h1-12,15H,13-14,16H2,(H,28,30) |
| InChIK | PXTLTPPIOYGYOK-UHFFFAOYSA-N |
| TotalMolweight | 569.306 |
| Molweight | 569.306 |
| MonoisotopicMass | 566.978577 |
| CLogP | 5.8505 |
| CLogS | -6.363 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 376.38 |
| Relative PSA | 0.18104 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | 6.0223 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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1 - 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]acetamide | 2 - 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]acetamide
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