(Z)-4-[4-(difluoromethoxy)phenyl]-N-(2-nitrophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
Formula:C22H15N5O3F2S
Mutagenic:low
Tumorigenic:none
Reproductive Effective:high
(Z)-4-[4-(difluoromethoxy)phenyl]-N-(2-nitrophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine is a drug-like molecule.
| MolName | (Z)-4-[4-(difluoromethoxy)phenyl]-N-(2-nitrophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine |
| MolecularFormula | C22H15N5O3F2S |
| Smiles | [O-][N+](c(cccc1)c1/N=C1\SC=C(c(cc2)ccc2OC(F)F)N1/N=C\c1ncccc1)=O |
| InChI | InChI=1S/C22H15F2N5O3S/c23-21(24)32-17-10-8-15(9-11-17)20-14-33-22(27-18-6-1-2-7-19(18)29(30)31)28(20)26-13-16-5-3-4-12-25-16/h1-14,21H |
| InChIK | OFNNBFFKVPLWCG-UHFFFAOYSA-N |
| TotalMolweight | 467.455 |
| Molweight | 467.455 |
| MonoisotopicMass | 467.086366 |
| CLogP | 3.665 |
| CLogS | -5.945 |
| H Acceptors | 8 |
| TotalSurfaceArea | 337.14 |
| Relative PSA | 0.28312 |
| PolarSurfaceArea | 121.2 |
| Druglikeness | -4.1361 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (Z)-4-[4-(difluoromethoxy)phenyl]-N-(2-nitrophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine | 2 - (Z)-4-[4-(difluoromethoxy)phenyl]-N-(2-nitrophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
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