N-[(Z)-benzylideneamino]-6-phenyl-5H-triazolo[5,1-b][1,3,4]thiadiazine-3-carboxamide
Formula:C18H14N6OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-6-phenyl-5H-triazolo[5,1-b][1,3,4]thiadiazine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-6-phenyl-5H-triazolo[5,1-b][1,3,4]thiadiazine-3-carboxamide |
| MolecularFormula | C18H14N6OS |
| Smiles | O=C(c1c2SCC(c3ccccc3)=Nn2nn1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C18H14N6OS/c25-17(21-19-11-13-7-3-1-4-8-13)16-18-24(23-20-16)22-15(12-26-18)14-9-5-2-6-10-14/h1-11H,12H2,(H,21,25) |
| InChIK | UKUCIWQSMDVUFT-UHFFFAOYSA-N |
| TotalMolweight | 362.416 |
| Molweight | 362.416 |
| MonoisotopicMass | 362.094979 |
| CLogP | 2.5069 |
| CLogS | -5.743 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 274.19 |
| Relative PSA | 0.34217 |
| PolarSurfaceArea | 109.83 |
| Druglikeness | 1.8785 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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