N-[(Z)-(4-chlorophenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
Formula:C22H16N5OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-(4-chlorophenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide |
| MolecularFormula | C22H16N5OCl |
| Smiles | O=C(c(nc1-c2ccccc2)nn1-c1ccccc1)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C22H16ClN5O/c23-18-13-11-16(12-14-18)15-24-26-22(29)20-25-21(17-7-3-1-4-8-17)28(27-20)19-9-5-2-6-10-19/h1-15H,(H,26,29) |
| InChIK | PZVKNIRZSRXTRL-UHFFFAOYSA-N |
| TotalMolweight | 401.856 |
| Molweight | 401.856 |
| MonoisotopicMass | 401.104337 |
| CLogP | 4.3852 |
| CLogS | -5.998 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 308.65 |
| Relative PSA | 0.21001 |
| PolarSurfaceArea | 72.17 |
| Druglikeness | 6.584 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-chlorophenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide | 2 - N-[(Z)-(4-chlorophenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off