N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-thiophen-2-ylacetamide
Formula:C22H19N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-thiophen-2-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-thiophen-2-ylacetamide |
| MolecularFormula | C22H19N3OS |
| Smiles | O=C(Cc1cccs1)N/N=C\c1cn(Cc2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C22H19N3OS/c26-22(13-19-9-6-12-27-19)24-23-14-18-16-25(15-17-7-2-1-3-8-17)21-11-5-4-10-20(18)21/h1-12,14,16H,13,15H2,(H,24,26) |
| InChIK | RDEKAZABCJOUPH-UHFFFAOYSA-N |
| TotalMolweight | 373.479 |
| Molweight | 373.479 |
| MonoisotopicMass | 373.124882 |
| CLogP | 4.596 |
| CLogS | -4.674 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 294.01 |
| Relative PSA | 0.21509 |
| PolarSurfaceArea | 74.63 |
| Druglikeness | 7.5806 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-thiophen-2-ylacetamide | 2 - N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-thiophen-2-ylacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off