N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
Formula:C25H21N3O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide is a drug-like molecule.
| MolName | N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide |
| MolecularFormula | C25H21N3O4S2 |
| Smiles | O=C(c(cccc1)c1NS(c1cccs1)(=O)=O)N/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C25H21N3O4S2/c29-25(22-9-4-5-10-23(22)28-34(30,31)24-11-6-16-33-24)27-26-17-19-12-14-21(15-13-19)32-18-20-7-2-1-3-8-20/h1-17,28H,18H2,(H,27,29) |
| InChIK | QOYUEFJATODPIH-UHFFFAOYSA-N |
| TotalMolweight | 491.591 |
| Molweight | 491.591 |
| MonoisotopicMass | 491.097347 |
| CLogP | 4.8379 |
| CLogS | -6.312 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 366.25 |
| Relative PSA | 0.29054 |
| PolarSurfaceArea | 133.48 |
| Druglikeness | -2.2851 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61765 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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