(5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
Formula:C21H13N3O2S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C21H13N3O2S2 |
| Smiles | O=C(/C(/NC1=S)=C/c2ccc(-c3nc(cccc4)c4s3)o2)N1c1ccccc1 |
| InChI | InChI=1S/C21H13N3O2S2/c25-20-16(23-21(27)24(20)13-6-2-1-3-7-13)12-14-10-11-17(26-14)19-22-15-8-4-5-9-18(15)28-19/h1-12H,(H,23,27) |
| InChIK | PTJMXXHVSXQZHT-UHFFFAOYSA-N |
| TotalMolweight | 403.485 |
| Molweight | 403.485 |
| MonoisotopicMass | 403.044917 |
| CLogP | 4.0888 |
| CLogS | -5.238 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 295.2 |
| Relative PSA | 0.3438 |
| PolarSurfaceArea | 118.7 |
| Druglikeness | 4.7803 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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