2-(N-(2-nitrophenyl)sulfonylanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
Formula:C27H22N4O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(N-(2-nitrophenyl)sulfonylanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(N-(2-nitrophenyl)sulfonylanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C27H22N4O6S |
| Smiles | [O-][N+](c(cccc1)c1S(N(CC(N/N=C\c1cc(Oc2ccccc2)ccc1)=O)c1ccccc1)(=O)=O)=O |
| InChI | InChI=1S/C27H22N4O6S/c32-27(29-28-19-21-10-9-15-24(18-21)37-23-13-5-2-6-14-23)20-30(22-11-3-1-4-12-22)38(35,36)26-17-8-7-16-25(26)31(33)34/h1-19H,20H2,(H,29,32) |
| InChIK | PPDAYZPKMBAFTJ-UHFFFAOYSA-N |
| TotalMolweight | 530.56 |
| Molweight | 530.56 |
| MonoisotopicMass | 530.126006 |
| CLogP | 3.5248 |
| CLogS | -7.683 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 392.82 |
| Relative PSA | 0.27636 |
| PolarSurfaceArea | 142.27 |
| Druglikeness | -0.27733 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(N-(2-nitrophenyl)sulfonylanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide | 2 - 2-(N-(2-nitrophenyl)sulfonylanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
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