1-[(E)-3-(4-chlorophenyl)sulfanyl-3-phenylprop-1-enyl]-2-(5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazine
Formula:C30H26N5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-3-(4-chlorophenyl)sulfanyl-3-phenylprop-1-enyl]-2-(5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazine is not a drug-like molecule.
| MolName | 1-[(E)-3-(4-chlorophenyl)sulfanyl-3-phenylprop-1-enyl]-2-(5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazine |
| MolecularFormula | C30H26N5ClS |
| Smiles | Clc(cc1)ccc1SC(/C=C/NNC1=NC(c2ccccc2)C(c2ccccc2)=NN1)c1ccccc1 |
| InChI | InChI=1S/C30H26ClN5S/c31-25-16-18-26(19-17-25)37-27(22-10-4-1-5-11-22)20-21-32-35-30-33-28(23-12-6-2-7-13-23)29(34-36-30)24-14-8-3-9-15-24/h1-21,27-28,32H,(H2,33,35,36) |
| InChIK | TZERWADBGZRHHE-UHFFFAOYSA-N |
| TotalMolweight | 524.09 |
| Molweight | 524.09 |
| MonoisotopicMass | 523.159742 |
| CLogP | 6.1586 |
| CLogS | -8.691 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 403.77 |
| Relative PSA | 0.18548 |
| PolarSurfaceArea | 86.11 |
| Druglikeness | 3.999 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51351 |
| 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 | 8 |
| BasicNitrogens | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 1-[(E)-3-(4-chlorophenyl)sulfanyl-3-phenylprop-1-enyl]-2-(5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazine | 2 - 1-[(E)-3-(4-chlorophenyl)sulfanyl-3-phenylprop-1-enyl]-2-(5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off