N-[2-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
Formula:C24H17N5O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide |
| MolecularFormula | C24H17N5O3Cl2 |
| Smiles | O=C(C(C(c1c2cccc1)=NNC2=O)NC(c1ccccc1)=O)N/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C24H17Cl2N5O3/c25-18-11-10-14(12-19(18)26)13-27-30-24(34)21(28-22(32)15-6-2-1-3-7-15)20-16-8-4-5-9-17(16)23(33)31-29-20/h1-13,21H,(H,28,32)(H,30,34)(H,31,33)/t21-/m1/s1 |
| InChIK | BFXQMTQSYYSVDM-OAQYLSRUSA-N |
| TotalMolweight | 494.337 |
| Molweight | 494.337 |
| MonoisotopicMass | 493.070844 |
| CLogP | 4.3451 |
| CLogS | -7.349 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 357.98 |
| Relative PSA | 0.26962 |
| PolarSurfaceArea | 112.02 |
| Druglikeness | 6.9783 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-[2-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide | 2 - N-[2-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off