2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
Formula:C28H24N4O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C28H24N4O6S |
| Smiles | [O-][N+](c(cc1)ccc1N(CC(N/N=C\c(cccc1)c1OCc1ccccc1)=O)S(c1ccccc1)(=O)=O)=O |
| InChI | InChI=1S/C28H24N4O6S/c33-28(30-29-19-23-11-7-8-14-27(23)38-21-22-9-3-1-4-10-22)20-31(24-15-17-25(18-16-24)32(34)35)39(36,37)26-12-5-2-6-13-26/h1-19H,20-21H2,(H,30,33) |
| InChIK | PZNPCJCREQVACU-UHFFFAOYSA-N |
| TotalMolweight | 544.587 |
| Molweight | 544.587 |
| MonoisotopicMass | 544.141656 |
| CLogP | 3.4773 |
| CLogS | -6.727 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 406.58 |
| Relative PSA | 0.26701 |
| PolarSurfaceArea | 142.27 |
| Druglikeness | -16.72 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51282 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 5 |
| Symmetricatoms | 7 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off