[1-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
Formula:C33H29N4O5Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate |
| MolecularFormula | C33H29N4O5Cl |
| Smiles | O=C(C(N/N=C\c(c1ccccc1cc1)c1OC(c(cccc1)c1Cl)=O)=O)Nc(cccc1)c1C(NC1CCCCC1)=O |
| InChI | InChI=1S/C33H29ClN4O5/c34-27-16-8-6-14-24(27)33(42)43-29-19-18-21-10-4-5-13-23(21)26(29)20-35-38-32(41)31(40)37-28-17-9-7-15-25(28)30(39)36-22-11-2-1-3-12-22/h4-10,13-20,22H,1-3,11-12H2,(H,36,39)(H,37,40)(H,38,41) |
| InChIK | DWQAKNNSRPWKNI-UHFFFAOYSA-N |
| TotalMolweight | 597.069 |
| Molweight | 597.069 |
| MonoisotopicMass | 596.182648 |
| CLogP | 6.3693 |
| CLogS | -8.916 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 450.74 |
| Relative PSA | 0.23972 |
| PolarSurfaceArea | 125.96 |
| Druglikeness | -0.73762 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.51163 |
| Fragments | 1 |
| Non HAtoms | 43 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - [1-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate | 2 - [1-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
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