N-[(Z)-naphthalen-1-ylmethylideneamino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
Formula:C26H20N4O5S4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-naphthalen-1-ylmethylideneamino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-naphthalen-1-ylmethylideneamino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide |
| MolecularFormula | C26H20N4O5S4 |
| Smiles | O=C(c1cc(NS(c2cccs2)(=O)=O)cc(NS(c2cccs2)(=O)=O)c1)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C26H20N4O5S4/c31-26(28-27-17-19-8-3-7-18-6-1-2-9-23(18)19)20-14-21(29-38(32,33)24-10-4-12-36-24)16-22(15-20)30-39(34,35)25-11-5-13-37-25/h1-17,29-30H,(H,28,31) |
| InChIK | YAJVKTDAJHMCKX-UHFFFAOYSA-N |
| TotalMolweight | 596.732 |
| Molweight | 596.732 |
| MonoisotopicMass | 596.031651 |
| CLogP | 4.9724 |
| CLogS | -7.827 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 413.07 |
| Relative PSA | 0.37962 |
| PolarSurfaceArea | 207.04 |
| Druglikeness | 0.46579 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.4359 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 2 |
| Symmetricatoms | 12 |
| Amides | 2 |
| StereoCon |
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