(2Z)-2-(1-benzylpyridin-1-ium-2-yl)imino-1,3-diphenyl-5-phenyliminoimidazolidine-4-thione
Formula:C33H26N5S
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
(2Z)-2-(1-benzylpyridin-1-ium-2-yl)imino-1,3-diphenyl-5-phenyliminoimidazolidine-4-thione is not a drug-like molecule.
| MolName | (2Z)-2-(1-benzylpyridin-1-ium-2-yl)imino-1,3-diphenyl-5-phenyliminoimidazolidine-4-thione |
| MolecularFormula | C33H26N5S |
| Smiles | S=C(/C(/N(/C1=N/c2[n+](Cc3ccccc3)cccc2)c2ccccc2)=N\c2ccccc2)N1c1ccccc1 |
| InChI | InChI=1S/C33H26N5S/c39-32-31(34-27-17-7-2-8-18-27)37(28-19-9-3-10-20-28)33(38(32)29-21-11-4-12-22-29)35-30-23-13-14-24-36(30)25-26-15-5-1-6-16-26/h1-24H,25H2/q+1 |
| InChIK | KGYINYTYNFKOQX-UHFFFAOYSA-N |
| TotalMolweight | 524.67 |
| Molweight | 524.67 |
| MonoisotopicMass | 524.19089 |
| CLogP | 1.6991 |
| CLogS | -7.262 |
| H Acceptors | 5 |
| TotalSurfaceArea | 409.11 |
| Relative PSA | 0.14881 |
| PolarSurfaceArea | 67.17 |
| Druglikeness | 0.68954 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.41026 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 30 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (2Z)-2-(1-benzylpyridin-1-ium-2-yl)imino-1,3-diphenyl-5-phenyliminoimidazolidine-4-thione | 2 - (2Z)-2-(1-benzylpyridin-1-ium-2-yl)imino-1,3-diphenyl-5-phenyliminoimidazolidine-4-thione
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