N-[anilino-[(Z)-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]phosphoryl]aniline
Formula:C26H22N5OPS
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
N-[anilino-[(Z)-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]phosphoryl]aniline is a drug-like molecule.
| MolName | N-[anilino-[(Z)-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]phosphoryl]aniline |
| MolecularFormula | C26H22N5OPS |
| Smiles | O=P(Nc1ccccc1)(Nc1ccccc1)/N=C(/N=C1c2ccccc2)\SN1c1ccccc1 |
| InChI | InChI=1S/C26H22N5OPS/c32-33(28-22-15-7-2-8-16-22,29-23-17-9-3-10-18-23)30-26-27-25(21-13-5-1-6-14-21)31(34-26)24-19-11-4-12-20-24/h1-20H,(H2,28,29,32) |
| InChIK | BUARWZFFQHIBKU-UHFFFAOYSA-N |
| TotalMolweight | 483.535 |
| Molweight | 483.535 |
| MonoisotopicMass | 483.128267 |
| CLogP | 4.8027 |
| CLogS | -9.946 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 359.46 |
| Relative PSA | 0.23368 |
| PolarSurfaceArea | 104.2 |
| Druglikeness | -5.662 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.41176 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 13 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - N-[anilino-[(Z)-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]phosphoryl]aniline | 2 - N-[anilino-[(Z)-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]phosphoryl]aniline
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