N,4-bis[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,2,4-triazol-3-amine
Formula:C30H26N6O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N,4-bis[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,2,4-triazol-3-amine is not a drug-like molecule.
| MolName | N,4-bis[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,2,4-triazol-3-amine |
| MolecularFormula | C30H26N6O2 |
| Smiles | C(c1ccccc1)Oc1ccc(/C=N\Nc2nncn2/N=C\c(cc2)ccc2OCc2ccccc2)cc1 |
| InChI | InChI=1S/C30H26N6O2/c1-3-7-26(8-4-1)21-37-28-15-11-24(12-16-28)19-31-34-30-35-32-23-36(30)33-20-25-13-17-29(18-14-25)38-22-27-9-5-2-6-10-27/h1-20,23H,21-22H2,(H,34,35) |
| InChIK | YOPXWZVELYTFLN-UHFFFAOYSA-N |
| TotalMolweight | 502.576 |
| Molweight | 502.576 |
| MonoisotopicMass | 502.211724 |
| CLogP | 7.4753 |
| CLogS | -8.796 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 407.52 |
| Relative PSA | 0.20438 |
| PolarSurfaceArea | 85.92 |
| Druglikeness | 4.0494 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.71053 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 11 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N,4-bis[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,2,4-triazol-3-amine | 2 - N,4-bis[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,2,4-triazol-3-amine
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