N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-3-chloro-1-benzothiophene-2-carboxamide
Formula:C25H18N3OClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-3-chloro-1-benzothiophene-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-3-chloro-1-benzothiophene-2-carboxamide |
| MolecularFormula | C25H18N3OClS |
| Smiles | O=C(c(sc1c2cccc1)c2Cl)N/N=C\c1cn(Cc2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C25H18ClN3OS/c26-23-20-11-5-7-13-22(20)31-24(23)25(30)28-27-14-18-16-29(15-17-8-2-1-3-9-17)21-12-6-4-10-19(18)21/h1-14,16H,15H2,(H,28,30) |
| InChIK | VPAILNPRNCUUOL-UHFFFAOYSA-N |
| TotalMolweight | 443.957 |
| Molweight | 443.957 |
| MonoisotopicMass | 443.085909 |
| CLogP | 6.2585 |
| CLogS | -6.784 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 330.27 |
| Relative PSA | 0.19148 |
| PolarSurfaceArea | 74.63 |
| Druglikeness | 7.0824 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; 3-halo-enone |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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