N-[(Z)-[1-[2-(4-chlorophenyl)sulfanylethyl]indol-3-yl]methylideneamino]pyridine-4-carboxamide
Formula:C23H19N4OClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[1-[2-(4-chlorophenyl)sulfanylethyl]indol-3-yl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[1-[2-(4-chlorophenyl)sulfanylethyl]indol-3-yl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C23H19N4OClS |
| Smiles | O=C(c1ccncc1)N/N=C\c1cn(CCSc(cc2)ccc2Cl)c2c1cccc2 |
| InChI | InChI=1S/C23H19ClN4OS/c24-19-5-7-20(8-6-19)30-14-13-28-16-18(21-3-1-2-4-22(21)28)15-26-27-23(29)17-9-11-25-12-10-17/h1-12,15-16H,13-14H2,(H,27,29) |
| InChIK | CPDGTYFVYVQCCA-UHFFFAOYSA-N |
| TotalMolweight | 434.95 |
| Molweight | 434.95 |
| MonoisotopicMass | 434.096808 |
| CLogP | 4.8915 |
| CLogS | -5.567 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 329.74 |
| Relative PSA | 0.21635 |
| PolarSurfaceArea | 84.58 |
| Druglikeness | 6.3 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[1-[2-(4-chlorophenyl)sulfanylethyl]indol-3-yl]methylideneamino]pyridine-4-carboxamide | 2 - N-[(Z)-[1-[2-(4-chlorophenyl)sulfanylethyl]indol-3-yl]methylideneamino]pyridine-4-carboxamide
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