2-(benzotriazol-2-yl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
Formula:C21H17N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(benzotriazol-2-yl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(benzotriazol-2-yl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C21H17N5O2 |
| Smiles | O=C(Cn1nc(cccc2)c2n1)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C21H17N5O2/c27-21(15-26-24-19-11-4-5-12-20(19)25-26)23-22-14-16-7-6-10-18(13-16)28-17-8-2-1-3-9-17/h1-14H,15H2,(H,23,27) |
| InChIK | MDEOSIWJWXWFEV-UHFFFAOYSA-N |
| TotalMolweight | 371.399 |
| Molweight | 371.399 |
| MonoisotopicMass | 371.138225 |
| CLogP | 3.6207 |
| CLogS | -4.762 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 291.83 |
| Relative PSA | 0.25638 |
| PolarSurfaceArea | 81.4 |
| Druglikeness | 5.9333 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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