(3Z)-3-[[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one
Formula:C20H12N3OClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-[[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3Z)-3-[[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one |
| MolecularFormula | C20H12N3OClS2 |
| Smiles | O=C1Nc(cccc2)c2/C1=C/c(n(ccs1)c1n1)c1Sc(cc1)ccc1Cl |
| InChI | InChI=1S/C20H12ClN3OS2/c21-12-5-7-13(8-6-12)27-19-17(24-9-10-26-20(24)23-19)11-15-14-3-1-2-4-16(14)22-18(15)25/h1-11H,(H,22,25) |
| InChIK | SPGIPBVNIHCVHP-UHFFFAOYSA-N |
| TotalMolweight | 409.92 |
| Molweight | 409.92 |
| MonoisotopicMass | 409.011029 |
| CLogP | 3.9174 |
| CLogS | -4.429 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 286.06 |
| Relative PSA | 0.2841 |
| PolarSurfaceArea | 99.94 |
| Druglikeness | 4.0426 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| 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 | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (3Z)-3-[[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one | 2 - (3Z)-3-[[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one
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