N'-[(Z)-(4-chlorophenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide
Formula:C17H12N5O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(4-chlorophenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(4-chlorophenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide |
| MolecularFormula | C17H12N5O2ClS |
| Smiles | O=C(C(N/N=C\c(cc1)ccc1Cl)=O)Nc1nnc(-c2ccccc2)s1 |
| InChI | InChI=1S/C17H12ClN5O2S/c18-13-8-6-11(7-9-13)10-19-21-15(25)14(24)20-17-23-22-16(26-17)12-4-2-1-3-5-12/h1-10H,(H,21,25)(H,20,23,24) |
| InChIK | QLYYXMGXVONAKB-UHFFFAOYSA-N |
| TotalMolweight | 385.834 |
| Molweight | 385.834 |
| MonoisotopicMass | 385.040022 |
| CLogP | 3.4179 |
| CLogS | -4.765 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 284.84 |
| Relative PSA | 0.36094 |
| PolarSurfaceArea | 124.58 |
| Druglikeness | 5.1414 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N'-[(Z)-(4-chlorophenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide | 2 - N'-[(Z)-(4-chlorophenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide
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