N-[(Z)-[2-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methylideneamino]pyridine-4-carboxamide
Formula:C21H18N3O2ClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[2-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[2-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C21H18N3O2ClS |
| Smiles | O=C(c1ccncc1)N/N=C\c(cccc1)c1OCCSc(cc1)ccc1Cl |
| InChI | InChI=1S/C21H18ClN3O2S/c22-18-5-7-19(8-6-18)28-14-13-27-20-4-2-1-3-17(20)15-24-25-21(26)16-9-11-23-12-10-16/h1-12,15H,13-14H2,(H,25,26) |
| InChIK | ODRDDVAMUJSZTP-UHFFFAOYSA-N |
| TotalMolweight | 411.912 |
| Molweight | 411.912 |
| MonoisotopicMass | 411.080824 |
| CLogP | 4.7996 |
| CLogS | -5.692 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 315.94 |
| Relative PSA | 0.23571 |
| PolarSurfaceArea | 88.88 |
| Druglikeness | 4.3867 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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