[2-methoxy-4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate
Formula:C20H17N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-methoxy-4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [2-methoxy-4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate |
| MolecularFormula | C20H17N3O4S |
| Smiles | COc(cc(/C=N\NC(Nc1ccccc1)=O)cc1)c1OC(c1cccs1)=O |
| InChI | InChI=1S/C20H17N3O4S/c1-26-17-12-14(9-10-16(17)27-19(24)18-8-5-11-28-18)13-21-23-20(25)22-15-6-3-2-4-7-15/h2-13H,1H3,(H2,22,23,25) |
| InChIK | DVSLUHCBAOJJQH-UHFFFAOYSA-N |
| TotalMolweight | 395.438 |
| Molweight | 395.438 |
| MonoisotopicMass | 395.093977 |
| CLogP | 4.4226 |
| CLogS | -5.735 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 304.16 |
| Relative PSA | 0.33163 |
| PolarSurfaceArea | 117.26 |
| Druglikeness | 5.5768 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - [2-methoxy-4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate | 2 - [2-methoxy-4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate
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