N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]thiophene-2-carboxamide
Formula:C22H16N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]thiophene-2-carboxamide |
| MolecularFormula | C22H16N4OS |
| Smiles | N#Cc1c(Cn2c(cccc3)c3c(/C=N\NC(c3cccs3)=O)c2)cccc1 |
| InChI | InChI=1S/C22H16N4OS/c23-12-16-6-1-2-7-17(16)14-26-15-18(19-8-3-4-9-20(19)26)13-24-25-22(27)21-10-5-11-28-21/h1-11,13,15H,14H2,(H,25,27) |
| InChIK | YQXXHPNBXJBPJV-UHFFFAOYSA-N |
| TotalMolweight | 384.462 |
| Molweight | 384.462 |
| MonoisotopicMass | 384.104481 |
| CLogP | 4.4335 |
| CLogS | -5.482 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 301.96 |
| Relative PSA | 0.25434 |
| PolarSurfaceArea | 98.42 |
| Druglikeness | 3.3335 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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