N-[(Z)-[1-[(2,6-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
Formula:C31H24N4O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-[(2,6-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[1-[(2,6-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide |
| MolecularFormula | C31H24N4O2Cl2 |
| Smiles | OC(C(N/N=C\c1cn(Cc(c(Cl)ccc2)c2Cl)nc1-c1ccccc1)=O)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C31H24Cl2N4O2/c32-27-17-10-18-28(33)26(27)21-37-20-23(29(36-37)22-11-4-1-5-12-22)19-34-35-30(38)31(39,24-13-6-2-7-14-24)25-15-8-3-9-16-25/h1-20,39H,21H2,(H,35,38) |
| InChIK | WZOGQYSIXAYQFX-UHFFFAOYSA-N |
| TotalMolweight | 555.464 |
| Molweight | 555.464 |
| MonoisotopicMass | 554.12763 |
| CLogP | 5.8639 |
| CLogS | -7.234 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 415.59 |
| Relative PSA | 0.1611 |
| PolarSurfaceArea | 79.51 |
| Druglikeness | 7.2116 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.4359 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 3 |
| Symmetricatoms | 13 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[1-[(2,6-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide | 2 - N-[(Z)-[1-[(2,6-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off