N-[(5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetamide
Formula:C27H19N4O2ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetamide is not a drug-like molecule.
| MolName | N-[(5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetamide |
| MolecularFormula | C27H19N4O2ClS2 |
| Smiles | O=C(Cc1ccccc1)NN(C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c(cc2)ccc2Cl)=O)C1=S |
| InChI | InChI=1S/C27H19ClN4O2S2/c28-21-13-11-19(12-14-21)25-20(17-31(30-25)22-9-5-2-6-10-22)16-23-26(34)32(27(35)36-23)29-24(33)15-18-7-3-1-4-8-18/h1-14,16-17H,15H2,(H,29,33) |
| InChIK | KNNUSFHWBATTBZ-UHFFFAOYSA-N |
| TotalMolweight | 531.059 |
| Molweight | 531.059 |
| MonoisotopicMass | 530.063793 |
| CLogP | 2.9943 |
| CLogS | -6.898 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 388.35 |
| Relative PSA | 0.26888 |
| PolarSurfaceArea | 124.62 |
| Druglikeness | 5.2842 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetamide | 2 - N-[(5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetamide
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