2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
Formula:C28H22N4O6Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide |
| MolecularFormula | C28H22N4O6Cl2S |
| Smiles | [O-][N+](c1ccc(COc2ccc(/C=N\NC(CN(c(cc3)cc(Cl)c3Cl)S(c3ccccc3)(=O)=O)=O)cc2)cc1)=O |
| InChI | InChI=1S/C28H22Cl2N4O6S/c29-26-15-12-23(16-27(26)30)33(41(38,39)25-4-2-1-3-5-25)18-28(35)32-31-17-20-8-13-24(14-9-20)40-19-21-6-10-22(11-7-21)34(36)37/h1-17H,18-19H2,(H,32,35) |
| InChIK | GSRROUZQGOLSLB-UHFFFAOYSA-N |
| TotalMolweight | 613.477 |
| Molweight | 613.477 |
| MonoisotopicMass | 612.06371 |
| CLogP | 4.6893 |
| CLogS | -8.199 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 437.42 |
| Relative PSA | 0.24818 |
| PolarSurfaceArea | 142.27 |
| Druglikeness | -11.597 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56098 |
| Fragments | 1 |
| Non HAtoms | 41 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 5 |
| Symmetricatoms | 7 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
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