2-(benzotriazol-1-yl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
Formula:C21H17N5O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(benzotriazol-1-yl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(benzotriazol-1-yl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C21H17N5O2 |
| Smiles | O=C(Cn1nnc2c1cccc2)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C21H17N5O2/c27-21(15-26-20-12-5-4-11-19(20)23-25-26)24-22-14-16-7-6-10-18(13-16)28-17-8-2-1-3-9-17/h1-14H,15H2,(H,24,27) |
| InChIK | YZGLJMCIEDXCQS-UHFFFAOYSA-N |
| TotalMolweight | 371.399 |
| Molweight | 371.399 |
| MonoisotopicMass | 371.138225 |
| CLogP | 3.2391 |
| CLogS | -5.637 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 291.83 |
| Relative PSA | 0.25638 |
| PolarSurfaceArea | 81.4 |
| Druglikeness | 1.117 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| 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 | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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