N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
Formula:C23H20N6O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide |
| MolecularFormula | C23H20N6O2 |
| Smiles | O=C(Cn1nnc(-c2ccccc2)n1)N/N=C\c1cc(OCc2ccccc2)ccc1 |
| InChI | InChI=1S/C23H20N6O2/c30-22(16-29-27-23(26-28-29)20-11-5-2-6-12-20)25-24-15-19-10-7-13-21(14-19)31-17-18-8-3-1-4-9-18/h1-15H,16-17H2,(H,25,30) |
| InChIK | IIOAOPBVHPKLPT-UHFFFAOYSA-N |
| TotalMolweight | 412.452 |
| Molweight | 412.452 |
| MonoisotopicMass | 412.164774 |
| CLogP | 3.861 |
| CLogS | -5.13 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 329.51 |
| Relative PSA | 0.26036 |
| PolarSurfaceArea | 94.29 |
| Druglikeness | 0.67933 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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