| MolName | (Z)-N-dimorpholin-4-ylphosphoryl-2,3-diphenyl-1,2,4-thiadiazol-5-imine |
| MolecularFormula | C22H26N5O3PS |
| Smiles | O=P(N1CCOCC1)(N1CCOCC1)/N=C(/N=C1c2ccccc2)\SN1c1ccccc1 |
| InChI | InChI=1S/C22H26N5O3PS/c28-31(25-11-15-29-16-12-25,26-13-17-30-18-14-26)24-22-23-21(19-7-3-1-4-8-19)27(32-22)20-9-5-2-6-10-20/h1-10H,11-18H2 |
| InChIK | RBMHEKUGMXQFQZ-UHFFFAOYSA-N |
| TotalMolweight | 471.52 |
| Molweight | 471.52 |
| MonoisotopicMass | 471.149397 |
| CLogP | 2.2901 |
| CLogS | -5.692 |
| H Acceptors | 8 |
| TotalSurfaceArea | 340.7 |
| Relative PSA | 0.25882 |
| PolarSurfaceArea | 105.08 |
| Druglikeness | -5.3524 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.40625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 12 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - (Z)-N-dimorpholin-4-ylphosphoryl-2,3-diphenyl-1,2,4-thiadiazol-5-imine | 2 - (Z)-N-dimorpholin-4-ylphosphoryl-2,3-diphenyl-1,2,4-thiadiazol-5-imine