[4-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
Formula:C27H26N4O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate |
| MolecularFormula | C27H26N4O5S |
| Smiles | O=C(C(N/N=C\c(cc1)ccc1OC(c1cccs1)=O)=O)Nc(cccc1)c1C(NC1CCCCC1)=O |
| InChI | InChI=1S/C27H26N4O5S/c32-24(29-19-7-2-1-3-8-19)21-9-4-5-10-22(21)30-25(33)26(34)31-28-17-18-12-14-20(15-13-18)36-27(35)23-11-6-16-37-23/h4-6,9-17,19H,1-3,7-8H2,(H,29,32)(H,30,33)(H,31,34) |
| InChIK | ZKFFRTKZEVNWQN-UHFFFAOYSA-N |
| TotalMolweight | 518.592 |
| Molweight | 518.592 |
| MonoisotopicMass | 518.162391 |
| CLogP | 4.4355 |
| CLogS | -6.584 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 396.66 |
| Relative PSA | 0.32373 |
| PolarSurfaceArea | 154.2 |
| Druglikeness | 0.96199 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.62162 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - [4-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate | 2 - [4-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
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