2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
Formula:C32H26N4O6S
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide |
| MolecularFormula | C32H26N4O6S |
| Smiles | [O-][N+](c1cccc(N(CC(N/N=C\c(cc2)ccc2OCc2cccc3ccccc23)=O)S(c2ccccc2)(=O)=O)c1)=O |
| InChI | InChI=1S/C32H26N4O6S/c37-32(22-35(27-11-7-12-28(20-27)36(38)39)43(40,41)30-13-2-1-3-14-30)34-33-21-24-16-18-29(19-17-24)42-23-26-10-6-9-25-8-4-5-15-31(25)26/h1-21H,22-23H2,(H,34,37) |
| InChIK | FASIARBRAXJVET-UHFFFAOYSA-N |
| TotalMolweight | 594.646 |
| Molweight | 594.646 |
| MonoisotopicMass | 594.157306 |
| CLogP | 4.6717 |
| CLogS | -8.333 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 441.18 |
| Relative PSA | 0.24607 |
| PolarSurfaceArea | 142.27 |
| Druglikeness | -5.538 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51163 |
| Fragments | 1 |
| Non HAtoms | 43 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 10 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
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