N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide
Formula:C24H19N5O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide |
| MolecularFormula | C24H19N5O3S |
| Smiles | O=C(C(N/N=C\c(cc1)ccc1OCc1ccccc1)=O)Nc1nnc(-c2ccccc2)s1 |
| InChI | InChI=1S/C24H19N5O3S/c30-21(26-24-29-28-23(33-24)19-9-5-2-6-10-19)22(31)27-25-15-17-11-13-20(14-12-17)32-16-18-7-3-1-4-8-18/h1-15H,16H2,(H,27,31)(H,26,29,30) |
| InChIK | ZIEFAXSTEBMFNC-UHFFFAOYSA-N |
| TotalMolweight | 457.513 |
| Molweight | 457.513 |
| MonoisotopicMass | 457.12086 |
| CLogP | 4.16 |
| CLogS | -5.37 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 352.94 |
| Relative PSA | 0.31963 |
| PolarSurfaceArea | 133.81 |
| Druglikeness | 4.833 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.69697 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide | 2 - N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide
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