N'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
Formula:C29H29N4O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide is not a drug-like molecule.
| MolName | N'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide |
| MolecularFormula | C29H29N4O4Cl |
| Smiles | O=C(C(N/N=C\c(cc1)ccc1OCc(cc1)ccc1Cl)=O)Nc(cccc1)c1C(NC1CCCCC1)=O |
| InChI | InChI=1S/C29H29ClN4O4/c30-22-14-10-21(11-15-22)19-38-24-16-12-20(13-17-24)18-31-34-29(37)28(36)33-26-9-5-4-8-25(26)27(35)32-23-6-2-1-3-7-23/h4-5,8-18,23H,1-3,6-7,19H2,(H,32,35)(H,33,36)(H,34,37) |
| InChIK | HMVVNHSQVXQEEO-UHFFFAOYSA-N |
| TotalMolweight | 533.026 |
| Molweight | 533.026 |
| MonoisotopicMass | 532.187733 |
| CLogP | 5.0925 |
| CLogS | -7.181 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 412.15 |
| Relative PSA | 0.23052 |
| PolarSurfaceArea | 108.89 |
| Druglikeness | -0.78972 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.65789 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide | 2 - N'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
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