(5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C30H21N3O2S2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C30H21N3O2S2 |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2-n(c(-c2ccccc2)c2)nc2-c2ccccc2)N(Cc2ccco2)C1=S |
| InChI | InChI=1S/C30H21N3O2S2/c34-29-28(37-30(36)32(29)20-25-12-7-17-35-25)18-21-13-15-24(16-14-21)33-27(23-10-5-2-6-11-23)19-26(31-33)22-8-3-1-4-9-22/h1-19H,20H2 |
| InChIK | HHVHTTRNOYCERB-UHFFFAOYSA-N |
| TotalMolweight | 519.648 |
| Molweight | 519.648 |
| MonoisotopicMass | 519.107517 |
| CLogP | 4.6731 |
| CLogS | -7.434 |
| H Acceptors | 5 |
| TotalSurfaceArea | 393.17 |
| Relative PSA | 0.23916 |
| PolarSurfaceArea | 108.66 |
| Druglikeness | 5.5639 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51351 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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