N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
Formula:C21H19N3O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide is a drug-like molecule.
| MolName | N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide |
| MolecularFormula | C21H19N3O3S2 |
| Smiles | O=C(c(cc1)ccc1NS(c1cccs1)(=O)=O)N/N=C(\CCC1)/c2c1cccc2 |
| InChI | InChI=1S/C21H19N3O3S2/c25-21(23-22-19-8-3-6-15-5-1-2-7-18(15)19)16-10-12-17(13-11-16)24-29(26,27)20-9-4-14-28-20/h1-2,4-5,7,9-14,24H,3,6,8H2,(H,23,25) |
| InChIK | GINNZGTXJUCATB-UHFFFAOYSA-N |
| TotalMolweight | 425.532 |
| Molweight | 425.532 |
| MonoisotopicMass | 425.086782 |
| CLogP | 4.1625 |
| CLogS | -5.92 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 308.72 |
| Relative PSA | 0.31229 |
| PolarSurfaceArea | 124.25 |
| Druglikeness | 2.7763 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide | 2 - N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
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