N-[(Z)-(3-bromophenyl)methylideneamino]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
Formula:C23H21N3O3Br2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-bromophenyl)methylideneamino]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide |
| MolecularFormula | C23H21N3O3Br2S |
| Smiles | O=C(CN(CCc1ccccc1)S(c(cc1)ccc1Br)(=O)=O)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C23H21Br2N3O3S/c24-20-9-11-22(12-10-20)32(30,31)28(14-13-18-5-2-1-3-6-18)17-23(29)27-26-16-19-7-4-8-21(25)15-19/h1-12,15-16H,13-14,17H2,(H,27,29) |
| InChIK | BZJXFLNVJIXBJU-UHFFFAOYSA-N |
| TotalMolweight | 579.312 |
| Molweight | 579.312 |
| MonoisotopicMass | 576.967034 |
| CLogP | 5.3637 |
| CLogS | -5.725 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 364.17 |
| Relative PSA | 0.18711 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | 3.7955 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-(3-bromophenyl)methylideneamino]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide | 2 - N-[(Z)-(3-bromophenyl)methylideneamino]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
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