4-[(2-oxobenzo[cd]indol-1-yl)methyl]-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
Formula:C24H17N3O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-[(2-oxobenzo[cd]indol-1-yl)methyl]-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-[(2-oxobenzo[cd]indol-1-yl)methyl]-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide |
| MolecularFormula | C24H17N3O2S |
| Smiles | O=C(c1ccc(CN(c2cccc3cccc4c23)C4=O)cc1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C24H17N3O2S/c28-23(26-25-14-19-6-3-13-30-19)18-11-9-16(10-12-18)15-27-21-8-2-5-17-4-1-7-20(22(17)21)24(27)29/h1-14H,15H2,(H,26,28) |
| InChIK | ZBKHRWUNVNRJDE-UHFFFAOYSA-N |
| TotalMolweight | 411.484 |
| Molweight | 411.484 |
| MonoisotopicMass | 411.104147 |
| CLogP | 5.1594 |
| CLogS | -7.062 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 305.6 |
| Relative PSA | 0.23874 |
| PolarSurfaceArea | 90.01 |
| Druglikeness | 7.7369 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 4-[(2-oxobenzo[cd]indol-1-yl)methyl]-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide | 2 - 4-[(2-oxobenzo[cd]indol-1-yl)methyl]-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
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