(5Z)-5-[[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C14H7N3O2ClFS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C14H7N3O2ClFS2 |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2Oc(nc(nc2)Cl)c2F)NC1=S |
| InChI | InChI=1S/C14H7ClFN3O2S2/c15-13-17-6-9(16)12(19-13)21-8-3-1-7(2-4-8)5-10-11(20)18-14(22)23-10/h1-6H,(H,18,20,22) |
| InChIK | PKOGHEYEGLEZMA-UHFFFAOYSA-N |
| TotalMolweight | 367.812 |
| Molweight | 367.812 |
| MonoisotopicMass | 366.965222 |
| CLogP | 2.2769 |
| CLogS | -6.137 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 252.93 |
| Relative PSA | 0.403 |
| PolarSurfaceArea | 121.5 |
| Druglikeness | 1.068 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (5Z)-5-[[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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