(5Z)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one
Formula:C31H23N3OS2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(5Z)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one is not a drug-like molecule.
| MolName | (5Z)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one |
| MolecularFormula | C31H23N3OS2 |
| Smiles | O=C(N(C1=S)c2ccccc2)S/C1=C\c(cc1)ccc1N(C(C1)c2ccccc2)N=C1c1ccccc1 |
| InChI | InChI=1S/C31H23N3OS2/c35-31-33(25-14-8-3-9-15-25)30(36)29(37-31)20-22-16-18-26(19-17-22)34-28(24-12-6-2-7-13-24)21-27(32-34)23-10-4-1-5-11-23/h1-20,28H,21H2/t28-/m0/s1 |
| InChIK | WJBFFIUWHJROLE-NDEPHWFRSA-N |
| TotalMolweight | 517.676 |
| Molweight | 517.676 |
| MonoisotopicMass | 517.128252 |
| CLogP | 6.9193 |
| CLogS | -8.502 |
| H Acceptors | 4 |
| TotalSurfaceArea | 388.03 |
| Relative PSA | 0.1988 |
| PolarSurfaceArea | 93.3 |
| Druglikeness | 4.5446 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.51351 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (5Z)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one | 2 - (5Z)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one
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