N-[(Z)-[3-bromo-5-chloro-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
Formula:C29H21N3O3BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-bromo-5-chloro-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-bromo-5-chloro-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide |
| MolecularFormula | C29H21N3O3BrCl |
| Smiles | N#Cc1c(COc(c(Cl)cc(/C=N\NC(C(c2ccccc2)(c2ccccc2)O)=O)c2)c2Br)cccc1 |
| InChI | InChI=1S/C29H21BrClN3O3/c30-25-15-20(16-26(31)27(25)37-19-22-10-8-7-9-21(22)17-32)18-33-34-28(35)29(36,23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-16,18,36H,19H2,(H,34,35) |
| InChIK | IEVNVXDARZYOBF-UHFFFAOYSA-N |
| TotalMolweight | 574.861 |
| Molweight | 574.861 |
| MonoisotopicMass | 573.04548 |
| CLogP | 5.9968 |
| CLogS | -8.111 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 402.79 |
| Relative PSA | 0.18042 |
| PolarSurfaceArea | 94.71 |
| Druglikeness | -0.90421 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51351 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[3-bromo-5-chloro-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide | 2 - N-[(Z)-[3-bromo-5-chloro-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off