| MolName | N'-[4-(4-methoxyphenyl)-3-methyl-1,2,4-thiadiazol-4-ium-5-yl]-N-(4-methylphenyl)benzenecarboximidamide |
| MolecularFormula | C24H23N4OS |
| Smiles | Cc1nsc(N=C(c2ccccc2)Nc2ccc(C)cc2)[n+]1-c(cc1)ccc1OC |
| InChI | InChI=1S/C24H22N4OS/c1-17-9-11-20(12-10-17)25-23(19-7-5-4-6-8-19)26-24-28(18(2)27-30-24)21-13-15-22(29-3)16-14-21/h4-16H,1-3H3/p+1 |
| InChIK | WMEGIPBQFLUAQC-UHFFFAOYSA-O |
| TotalMolweight | 415.54 |
| Molweight | 415.54 |
| MonoisotopicMass | 415.159256 |
| CLogP | 4.9714 |
| CLogS | -6.284 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 325.75 |
| Relative PSA | 0.20586 |
| PolarSurfaceArea | 78.63 |
| Druglikeness | 0.018111 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | tert. immonium |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N'-[4-(4-methoxyphenyl)-3-methyl-1,2,4-thiadiazol-4-ium-5-yl]-N-(4-methylphenyl)benzenecarboximidamide | 2 - N'-[4-(4-methoxyphenyl)-3-methyl-1,2,4-thiadiazol-4-ium-5-yl]-N-(4-methylphenyl)benzenecarboximidamide