(5Z)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-[4-(4-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one
Formula:C24H19N4O4FS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5Z)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-[4-(4-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one is a drug-like molecule.
| MolName | (5Z)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-[4-(4-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one |
| MolecularFormula | C24H19N4O4FS |
| Smiles | [O-][N+](c(cc1)ccc1N(CC1)CCN1C(S/C1=C\c2ccc(-c(cc3)ccc3F)o2)=NC1=O)=O |
| InChI | InChI=1S/C24H19FN4O4S/c25-17-3-1-16(2-4-17)21-10-9-20(33-21)15-22-23(30)26-24(34-22)28-13-11-27(12-14-28)18-5-7-19(8-6-18)29(31)32/h1-10,15H,11-14H2 |
| InChIK | BGZCNRZVJPNHCY-UHFFFAOYSA-N |
| TotalMolweight | 478.503 |
| Molweight | 478.503 |
| MonoisotopicMass | 478.111104 |
| CLogP | 3.2487 |
| CLogS | -6.491 |
| H Acceptors | 8 |
| TotalSurfaceArea | 344.05 |
| Relative PSA | 0.27226 |
| PolarSurfaceArea | 120.17 |
| Druglikeness | 0.56054 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5Z)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-[4-(4-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one | 2 - (5Z)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-[4-(4-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one
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