N'-[(Z)-(3-phenoxyphenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide
Formula:C23H17N5O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(3-phenoxyphenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(3-phenoxyphenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide |
| MolecularFormula | C23H17N5O3S |
| Smiles | O=C(C(N/N=C\c1cc(Oc2ccccc2)ccc1)=O)Nc1nnc(-c2ccccc2)s1 |
| InChI | InChI=1S/C23H17N5O3S/c29-20(25-23-28-27-22(32-23)17-9-3-1-4-10-17)21(30)26-24-15-16-8-7-13-19(14-16)31-18-11-5-2-6-12-18/h1-15H,(H,26,30)(H,25,28,29) |
| InChIK | VMJVQIBUQZPITO-UHFFFAOYSA-N |
| TotalMolweight | 443.486 |
| Molweight | 443.486 |
| MonoisotopicMass | 443.10521 |
| CLogP | 4.2075 |
| CLogS | -6.326 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 339.18 |
| Relative PSA | 0.3326 |
| PolarSurfaceArea | 133.81 |
| Druglikeness | 5.0407 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N'-[(Z)-(3-phenoxyphenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide | 2 - N'-[(Z)-(3-phenoxyphenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide
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