N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
Formula:C19H14N4O7S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide |
| MolecularFormula | C19H14N4O7S2 |
| Smiles | [O-][N+](c1c(/C=N\NC(c(cccc2)c2NS(c2cccs2)(=O)=O)=O)cc2OCOc2c1)=O |
| InChI | InChI=1S/C19H14N4O7S2/c24-19(13-4-1-2-5-14(13)22-32(27,28)18-6-3-7-31-18)21-20-10-12-8-16-17(30-11-29-16)9-15(12)23(25)26/h1-10,22H,11H2,(H,21,24) |
| InChIK | NYNXXJDLHXLFOM-UHFFFAOYSA-N |
| TotalMolweight | 474.473 |
| Molweight | 474.473 |
| MonoisotopicMass | 474.030391 |
| CLogP | 2.6796 |
| CLogS | -6.142 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 326.66 |
| Relative PSA | 0.44949 |
| PolarSurfaceArea | 188.53 |
| Druglikeness | -0.2324 |
| 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 | 32 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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