N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
Formula:C18H17N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide |
| MolecularFormula | C18H17N5O2 |
| Smiles | O=C(Cn1ncnc1)N/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C18H17N5O2/c24-18(11-23-14-19-13-21-23)22-20-10-15-6-8-17(9-7-15)25-12-16-4-2-1-3-5-16/h1-10,13-14H,11-12H2,(H,22,24) |
| InChIK | MPIGKNJQSUIAGC-UHFFFAOYSA-N |
| TotalMolweight | 335.366 |
| Molweight | 335.366 |
| MonoisotopicMass | 335.138225 |
| CLogP | 1.9829 |
| CLogS | -3.673 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 270.99 |
| Relative PSA | 0.2761 |
| PolarSurfaceArea | 81.4 |
| Druglikeness | 6.0904 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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