N-[(5Z)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetamide
Formula:C33H26N4O2S2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
N-[(5Z)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetamide is not a drug-like molecule.
| MolName | N-[(5Z)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetamide |
| MolecularFormula | C33H26N4O2S2 |
| Smiles | O=C(Cc1ccccc1)NN(C(/C(/S1)=C/c(cc2)ccc2N(C(C2)c3ccccc3)N=C2c2ccccc2)=O)C1=S |
| InChI | InChI=1S/C33H26N4O2S2/c38-31(21-23-10-4-1-5-11-23)35-37-32(39)30(41-33(37)40)20-24-16-18-27(19-17-24)36-29(26-14-8-3-9-15-26)22-28(34-36)25-12-6-2-7-13-25/h1-20,29H,21-22H2,(H,35,38)/t29-/m0/s1 |
| InChIK | URNVHFWSKCSRAG-LJAQVGFWSA-N |
| TotalMolweight | 574.727 |
| Molweight | 574.727 |
| MonoisotopicMass | 574.149716 |
| CLogP | 4.9317 |
| CLogS | -7.582 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 431 |
| Relative PSA | 0.23582 |
| PolarSurfaceArea | 122.4 |
| Druglikeness | 5.2025 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53659 |
| Fragments | 1 |
| Non HAtoms | 41 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 5 |
| Symmetricatoms | 8 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-[(5Z)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetamide | 2 - N-[(5Z)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetamide
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