[4-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
Formula:C27H19N4O5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate |
| MolecularFormula | C27H19N4O5ClS |
| Smiles | O=C(C(N/N=C\c(cc1)ccc1OC(c1cccs1)=O)=O)Nc(cccc1)c1C(Nc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C27H19ClN4O5S/c28-18-9-11-19(12-10-18)30-24(33)21-4-1-2-5-22(21)31-25(34)26(35)32-29-16-17-7-13-20(14-8-17)37-27(36)23-6-3-15-38-23/h1-16H,(H,30,33)(H,31,34)(H,32,35) |
| InChIK | AQJPPJUYYRPDSH-UHFFFAOYSA-N |
| TotalMolweight | 546.99 |
| Molweight | 546.99 |
| MonoisotopicMass | 546.076468 |
| CLogP | 5.1945 |
| CLogS | -7.253 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 404.04 |
| Relative PSA | 0.31782 |
| PolarSurfaceArea | 154.2 |
| Druglikeness | 5.2228 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate | 2 - [4-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
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