N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]oxamide
Formula:C24H19N4O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]oxamide is a drug-like molecule.
| MolName | N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]oxamide |
| MolecularFormula | C24H19N4O3Cl |
| Smiles | O=C(C(N/N=C\C=C\c1ccccc1)=O)Nc(cccc1)c1C(Nc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C24H19ClN4O3/c25-18-12-14-19(15-13-18)27-22(30)20-10-4-5-11-21(20)28-23(31)24(32)29-26-16-6-9-17-7-2-1-3-8-17/h1-16H,(H,27,30)(H,28,31)(H,29,32) |
| InChIK | LDEHAYNDBOYRIY-UHFFFAOYSA-N |
| TotalMolweight | 446.893 |
| Molweight | 446.893 |
| MonoisotopicMass | 446.114568 |
| CLogP | 3.9157 |
| CLogS | -6.065 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 347.09 |
| Relative PSA | 0.24492 |
| PolarSurfaceArea | 99.66 |
| Druglikeness | 3.7778 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]oxamide | 2 - N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]oxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off