(Z)-3-(furan-2-ylmethyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
Formula:C21H16N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-(furan-2-ylmethyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine is not a drug-like molecule.
| MolName | (Z)-3-(furan-2-ylmethyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine |
| MolecularFormula | C21H16N4O3S |
| Smiles | [O-][N+](c1cccc(/C=N\N=C2\SC=C(c3ccccc3)N2Cc2ccco2)c1)=O |
| InChI | InChI=1S/C21H16N4O3S/c26-25(27)18-9-4-6-16(12-18)13-22-23-21-24(14-19-10-5-11-28-19)20(15-29-21)17-7-2-1-3-8-17/h1-13,15H,14H2 |
| InChIK | GMYUHLPDKAQRAN-UHFFFAOYSA-N |
| TotalMolweight | 404.449 |
| Molweight | 404.449 |
| MonoisotopicMass | 404.094311 |
| CLogP | 5.1434 |
| CLogS | -6.116 |
| H Acceptors | 7 |
| TotalSurfaceArea | 306.63 |
| Relative PSA | 0.28891 |
| PolarSurfaceArea | 112.22 |
| Druglikeness | -0.995 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (Z)-3-(furan-2-ylmethyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine | 2 - (Z)-3-(furan-2-ylmethyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
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