[4-[(Z)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
Formula:C24H17N3O4S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[4-[(Z)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [4-[(Z)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate |
| MolecularFormula | C24H17N3O4S |
| Smiles | O=C(C(N/N=C\c(cc1)ccc1OC(c1cccs1)=O)=O)Nc1cccc2ccccc12 |
| InChI | InChI=1S/C24H17N3O4S/c28-22(26-20-8-3-6-17-5-1-2-7-19(17)20)23(29)27-25-15-16-10-12-18(13-11-16)31-24(30)21-9-4-14-32-21/h1-15H,(H,26,28)(H,27,29) |
| InChIK | PQYHAVDNMPEAMY-UHFFFAOYSA-N |
| TotalMolweight | 443.482 |
| Molweight | 443.482 |
| MonoisotopicMass | 443.093977 |
| CLogP | 4.6354 |
| CLogS | -6.611 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 334.25 |
| Relative PSA | 0.31088 |
| PolarSurfaceArea | 125.1 |
| Druglikeness | 5.1779 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - [4-[(Z)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate | 2 - [4-[(Z)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
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