(Z)-N-(4-benzhydrylpiperazin-1-yl)-1-(3,4-dichlorophenyl)methanimine
Formula:C24H23N3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(4-benzhydrylpiperazin-1-yl)-1-(3,4-dichlorophenyl)methanimine is not a drug-like molecule.
| MolName | (Z)-N-(4-benzhydrylpiperazin-1-yl)-1-(3,4-dichlorophenyl)methanimine |
| MolecularFormula | C24H23N3Cl2 |
| Smiles | Clc(ccc(/C=N\N(CC1)CCN1C(c1ccccc1)c1ccccc1)c1)c1Cl |
| InChI | InChI=1S/C24H23Cl2N3/c25-22-12-11-19(17-23(22)26)18-27-29-15-13-28(14-16-29)24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,17-18,24H,13-16H2 |
| InChIK | KPWXZWWCKVBZRZ-UHFFFAOYSA-N |
| TotalMolweight | 424.374 |
| Molweight | 424.374 |
| MonoisotopicMass | 423.126901 |
| CLogP | 5.9468 |
| CLogS | -5.388 |
| H Acceptors | 3 |
| TotalSurfaceArea | 323.02 |
| Relative PSA | 0.057613 |
| PolarSurfaceArea | 18.84 |
| Druglikeness | 6.9194 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 10 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-N-(4-benzhydrylpiperazin-1-yl)-1-(3,4-dichlorophenyl)methanimine | 2 - (Z)-N-(4-benzhydrylpiperazin-1-yl)-1-(3,4-dichlorophenyl)methanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off