N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
Formula:C26H20N8OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide |
| MolecularFormula | C26H20N8OCl2 |
| Smiles | O=C(Cn1nnc(-c2ccccc2)n1)N/N=C\c1cn(Cc(ccc(Cl)c2)c2Cl)nc1-c1ccccc1 |
| InChI | InChI=1S/C26H20Cl2N8O/c27-22-12-11-20(23(28)13-22)15-35-16-21(25(32-35)18-7-3-1-4-8-18)14-29-30-24(37)17-36-33-26(31-34-36)19-9-5-2-6-10-19/h1-14,16H,15,17H2,(H,30,37) |
| InChIK | JRFLZVRTBFYSAT-UHFFFAOYSA-N |
| TotalMolweight | 531.406 |
| Molweight | 531.406 |
| MonoisotopicMass | 530.113711 |
| CLogP | 4.8949 |
| CLogS | -6.596 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 398.07 |
| Relative PSA | 0.23521 |
| PolarSurfaceArea | 102.88 |
| Druglikeness | 2.0509 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56757 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 6 |
| StereoCon |
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1 - N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide | 2 - N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
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