| MolName | N-[(E)-(3-oxoinden-1-ylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide |
| MolecularFormula | C24H18N4O6S4 |
| Smiles | O=C(c1cc(NS(c2cccs2)(=O)=O)cc(NS(c2cccs2)(=O)=O)c1)N/N=C(\C1)/c(cccc2)c2C1=O |
| InChI | InChI=1S/C24H18N4O6S4/c29-21-14-20(18-5-1-2-6-19(18)21)25-26-24(30)15-11-16(27-37(31,32)22-7-3-9-35-22)13-17(12-15)28-38(33,34)23-8-4-10-36-23/h1-13,27-28H,14H2,(H,26,30) |
| InChIK | VTLHYZRFEDMHAV-UHFFFAOYSA-N |
| TotalMolweight | 586.693 |
| Molweight | 586.693 |
| MonoisotopicMass | 586.010916 |
| CLogP | 3.5579 |
| CLogS | -7.081 |
| H Acceptors | 10 |
| H Donors | 3 |
| TotalSurfaceArea | 394.69 |
| Relative PSA | 0.43034 |
| PolarSurfaceArea | 224.11 |
| Druglikeness | -1.289 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.42105 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 12 |
| Amides | 2 |
| StereoCon |
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1 - N-[(E)-(3-oxoinden-1-ylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide | 2 - N-[(E)-(3-oxoinden-1-ylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide