benzyl (NE)-N'-phenyl-N-[3-phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene]carbamimidothioate
Formula:C35H27N5S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
benzyl (NE)-N'-phenyl-N-[3-phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene]carbamimidothioate is not a drug-like molecule.
| MolName | benzyl (NE)-N'-phenyl-N-[3-phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene]carbamimidothioate |
| MolecularFormula | C35H27N5S2 |
| Smiles | C(c1ccccc1)S/C(/N=C(\N(/C1=N/c2ccccc2)c2ccccc2)/S/C1=N\c1ccccc1)=N/c1ccccc1 |
| InChI | InChI=1S/C35H27N5S2/c1-6-16-27(17-7-1)26-41-34(38-30-22-12-4-13-23-30)39-35-40(31-24-14-5-15-25-31)32(36-28-18-8-2-9-19-28)33(42-35)37-29-20-10-3-11-21-29/h1-25H,26H2 |
| InChIK | XMCWKKLWDIXPPT-UHFFFAOYSA-N |
| TotalMolweight | 581.766 |
| Molweight | 581.766 |
| MonoisotopicMass | 581.170785 |
| CLogP | 7.0647 |
| CLogS | -8.333 |
| H Acceptors | 5 |
| TotalSurfaceArea | 449.72 |
| Relative PSA | 0.18805 |
| PolarSurfaceArea | 103.28 |
| Druglikeness | 2.05 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.38095 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 30 |
| Sp3Atoms | 3 |
| Symmetricatoms | 10 |
| StereoCon |
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1 - benzyl (NE)-N'-phenyl-N-[3-phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene]carbamimidothioate | 2 - benzyl (NE)-N'-phenyl-N-[3-phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene]carbamimidothioate
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