(Z)-4-(1-benzofuran-2-yl)-N-(2-chlorophenyl)-3-[(Z)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-imine
Formula:C23H15N4OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-4-(1-benzofuran-2-yl)-N-(2-chlorophenyl)-3-[(Z)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-imine is not a drug-like molecule.
| MolName | (Z)-4-(1-benzofuran-2-yl)-N-(2-chlorophenyl)-3-[(Z)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-imine |
| MolecularFormula | C23H15N4OClS |
| Smiles | Clc(cccc1)c1/N=C1\SC=C(c2cc(cccc3)c3o2)N1/N=C\c1ccncc1 |
| InChI | InChI=1S/C23H15ClN4OS/c24-18-6-2-3-7-19(18)27-23-28(26-14-16-9-11-25-12-10-16)20(15-30-23)22-13-17-5-1-4-8-21(17)29-22/h1-15H |
| InChIK | ATSPXKCHBLZAMD-UHFFFAOYSA-N |
| TotalMolweight | 430.918 |
| Molweight | 430.918 |
| MonoisotopicMass | 430.065508 |
| CLogP | 5.4748 |
| CLogS | -6.758 |
| H Acceptors | 5 |
| TotalSurfaceArea | 317.98 |
| Relative PSA | 0.21744 |
| PolarSurfaceArea | 79.29 |
| Druglikeness | 3.8992 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.43333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (Z)-4-(1-benzofuran-2-yl)-N-(2-chlorophenyl)-3-[(Z)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-imine | 2 - (Z)-4-(1-benzofuran-2-yl)-N-(2-chlorophenyl)-3-[(Z)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-imine
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