N-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
Formula:C28H21N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide |
| MolecularFormula | C28H21N5OS |
| Smiles | O=C(Cc1cn(ccs2)c2n1)N/N=C\c(c1c2cccc1)c(-c1ccccc1)n2-c1ccccc1 |
| InChI | InChI=1S/C28H21N5OS/c34-26(17-21-19-32-15-16-35-28(32)30-21)31-29-18-24-23-13-7-8-14-25(23)33(22-11-5-2-6-12-22)27(24)20-9-3-1-4-10-20/h1-16,18-19H,17H2,(H,31,34) |
| InChIK | MFLDHFANZQMFMN-UHFFFAOYSA-N |
| TotalMolweight | 475.575 |
| Molweight | 475.575 |
| MonoisotopicMass | 475.14668 |
| CLogP | 5.5789 |
| CLogS | -8.053 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 364.02 |
| Relative PSA | 0.2257 |
| PolarSurfaceArea | 91.93 |
| Druglikeness | 5.6755 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide | 2 - N-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
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