N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]propan-2-yl]thiophene-2-carboxamide
Formula:C22H19N5O2S
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]propan-2-yl]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]propan-2-yl]thiophene-2-carboxamide |
| MolecularFormula | C22H19N5O2S |
| Smiles | O=C([C@H](Cc1c[nH]c2c1cccc2)NC(c1cccs1)=O)N/N=C\c1ncccc1 |
| InChI | InChI=1S/C22H19N5O2S/c28-21(27-25-14-16-6-3-4-10-23-16)19(26-22(29)20-9-5-11-30-20)12-15-13-24-18-8-2-1-7-17(15)18/h1-11,13-14,19,24H,12H2,(H,26,29)(H,27,28)/t19-/m0/s1 |
| InChIK | UODRIKSSIWVWEJ-IBGZPJMESA-N |
| TotalMolweight | 417.492 |
| Molweight | 417.492 |
| MonoisotopicMass | 417.125945 |
| CLogP | 3.0456 |
| CLogS | -4.765 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 321.09 |
| Relative PSA | 0.3296 |
| PolarSurfaceArea | 127.48 |
| Druglikeness | 8.6933 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]propan-2-yl]thiophene-2-carboxamide | 2 - N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]propan-2-yl]thiophene-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off