[1-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
Formula:C33H23N4O5Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate |
| MolecularFormula | C33H23N4O5Cl |
| Smiles | O=C(C(N/N=C\c(c1ccccc1cc1)c1OC(c1ccccc1)=O)=O)Nc(cccc1)c1C(Nc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C33H23ClN4O5/c34-23-15-17-24(18-16-23)36-30(39)26-12-6-7-13-28(26)37-31(40)32(41)38-35-20-27-25-11-5-4-8-21(25)14-19-29(27)43-33(42)22-9-2-1-3-10-22/h1-20H,(H,36,39)(H,37,40)(H,38,41) |
| InChIK | ATSXGVHERLDUGJ-UHFFFAOYSA-N |
| TotalMolweight | 591.022 |
| Molweight | 591.022 |
| MonoisotopicMass | 590.135698 |
| CLogP | 6.5223 |
| CLogS | -8.849 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 442.7 |
| Relative PSA | 0.24407 |
| PolarSurfaceArea | 125.96 |
| Druglikeness | 3.4163 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.53488 |
| Fragments | 1 |
| Non HAtoms | 43 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - [1-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate | 2 - [1-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
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