[4-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
Formula:C29H27N4O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate |
| MolecularFormula | C29H27N4O5Cl |
| Smiles | O=C(C(N/N=C\c(cc1)ccc1OC(c1cccc(Cl)c1)=O)=O)Nc(cccc1)c1C(NC1CCCCC1)=O |
| InChI | InChI=1S/C29H27ClN4O5/c30-21-8-6-7-20(17-21)29(38)39-23-15-13-19(14-16-23)18-31-34-28(37)27(36)33-25-12-5-4-11-24(25)26(35)32-22-9-2-1-3-10-22/h4-8,11-18,22H,1-3,9-10H2,(H,32,35)(H,33,36)(H,34,37) |
| InChIK | JIUPCZBFBITYEA-UHFFFAOYSA-N |
| TotalMolweight | 547.009 |
| Molweight | 547.009 |
| MonoisotopicMass | 546.166998 |
| CLogP | 5.1749 |
| CLogS | -7.31 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 416.14 |
| Relative PSA | 0.25965 |
| PolarSurfaceArea | 125.96 |
| Druglikeness | -0.73762 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate | 2 - [4-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
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