(5Z)-5-(anthracen-9-ylmethylidene)-3-benzyl-2-benzylimino-1,3-thiazolidin-4-one
Formula:C32H24N2OS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5Z)-5-(anthracen-9-ylmethylidene)-3-benzyl-2-benzylimino-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-5-(anthracen-9-ylmethylidene)-3-benzyl-2-benzylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C32H24N2OS |
| Smiles | O=C(/C(/S1)=C/c2c(cccc3)c3cc3ccccc23)N(Cc2ccccc2)/C1=N/Cc1ccccc1 |
| InChI | InChI=1S/C32H24N2OS/c35-31-30(20-29-27-17-9-7-15-25(27)19-26-16-8-10-18-28(26)29)36-32(33-21-23-11-3-1-4-12-23)34(31)22-24-13-5-2-6-14-24/h1-20H,21-22H2 |
| InChIK | PMFHEXCIGONFJT-UHFFFAOYSA-N |
| TotalMolweight | 484.622 |
| Molweight | 484.622 |
| MonoisotopicMass | 484.160933 |
| CLogP | 7.0937 |
| CLogS | -8.701 |
| H Acceptors | 3 |
| TotalSurfaceArea | 369.22 |
| Relative PSA | 0.12348 |
| PolarSurfaceArea | 57.97 |
| Druglikeness | 4.7962 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.41667 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 3 |
| Symmetricatoms | 10 |
| Amides | 1 |
| StereoCon |
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