N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
Formula:C25H19N7OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is not a drug-like molecule.
| MolName | N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide |
| MolecularFormula | C25H19N7OCl2 |
| Smiles | O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cn(Cc(ccc(Cl)c2)c2Cl)c2c1cccc2 |
| InChI | InChI=1S/C25H19Cl2N7O/c26-20-11-10-18(22(27)12-20)14-33-15-19(21-8-4-5-9-23(21)33)13-28-29-24(35)16-34-31-25(30-32-34)17-6-2-1-3-7-17/h1-13,15H,14,16H2,(H,29,35) |
| InChIK | FEYDANQFIZKGJT-UHFFFAOYSA-N |
| TotalMolweight | 504.38 |
| Molweight | 504.38 |
| MonoisotopicMass | 503.102812 |
| CLogP | 5.2546 |
| CLogS | -6.239 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 374.15 |
| Relative PSA | 0.22093 |
| PolarSurfaceArea | 89.99 |
| Druglikeness | 2.3983 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 5 |
| StereoCon |
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1 - N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide | 2 - N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
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