2-[(E)-3-[2-(5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazinyl]-1-phenylprop-2-enyl]sulfanylaniline
Formula:C30H28N6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-3-[2-(5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazinyl]-1-phenylprop-2-enyl]sulfanylaniline is not a drug-like molecule.
| MolName | 2-[(E)-3-[2-(5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazinyl]-1-phenylprop-2-enyl]sulfanylaniline |
| MolecularFormula | C30H28N6S |
| Smiles | Nc(cccc1)c1SC(/C=C/NNC1=NC(c2ccccc2)C(c2ccccc2)=NN1)c1ccccc1 |
| InChI | InChI=1S/C30H28N6S/c31-25-18-10-11-19-27(25)37-26(22-12-4-1-5-13-22)20-21-32-35-30-33-28(23-14-6-2-7-15-23)29(34-36-30)24-16-8-3-9-17-24/h1-21,26,28,32H,31H2,(H2,33,35,36) |
| InChIK | QPBVYEYJHYSPAY-UHFFFAOYSA-N |
| TotalMolweight | 504.66 |
| Molweight | 504.66 |
| MonoisotopicMass | 504.209614 |
| CLogP | 4.8753 |
| CLogS | -8.031 |
| H Acceptors | 6 |
| H Donors | 4 |
| TotalSurfaceArea | 396.87 |
| Relative PSA | 0.22718 |
| PolarSurfaceArea | 112.13 |
| Druglikeness | 3.9214 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48649 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 2 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 2-[(E)-3-[2-(5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazinyl]-1-phenylprop-2-enyl]sulfanylaniline | 2 - 2-[(E)-3-[2-(5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazinyl]-1-phenylprop-2-enyl]sulfanylaniline
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