[3-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Formula:C29H26N4O5Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [3-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate |
| MolecularFormula | C29H26N4O5Cl2 |
| Smiles | O=C(C(N/N=C\c1cccc(OC(c(ccc(Cl)c2)c2Cl)=O)c1)=O)Nc(cccc1)c1C(NC1CCCCC1)=O |
| InChI | InChI=1S/C29H26Cl2N4O5/c30-19-13-14-22(24(31)16-19)29(39)40-21-10-6-7-18(15-21)17-32-35-28(38)27(37)34-25-12-5-4-11-23(25)26(36)33-20-8-2-1-3-9-20/h4-7,10-17,20H,1-3,8-9H2,(H,33,36)(H,34,37)(H,35,38) |
| InChIK | NAGTUZMXBLXEGB-UHFFFAOYSA-N |
| TotalMolweight | 581.454 |
| Molweight | 581.454 |
| MonoisotopicMass | 580.128025 |
| CLogP | 5.7809 |
| CLogS | -8.046 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 431.56 |
| Relative PSA | 0.25037 |
| PolarSurfaceArea | 125.96 |
| Druglikeness | -0.73762 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - [3-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate | 2 - [3-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
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