N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
Formula:C23H18N6O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide |
| MolecularFormula | C23H18N6O2Cl2 |
| Smiles | O=C(Cn1nnc(-c2ccccc2)n1)N/N=C\c(cccc1)c1OCc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C23H18Cl2N6O2/c24-19-11-10-18(20(25)12-19)15-33-21-9-5-4-8-17(21)13-26-27-22(32)14-31-29-23(28-30-31)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,27,32) |
| InChIK | QLDWNUSXRXVQFP-UHFFFAOYSA-N |
| TotalMolweight | 481.342 |
| Molweight | 481.342 |
| MonoisotopicMass | 480.086828 |
| CLogP | 5.073 |
| CLogS | -6.602 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 360.35 |
| Relative PSA | 0.23807 |
| PolarSurfaceArea | 94.29 |
| Druglikeness | 0.7118 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide | 2 - N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off