(Z)-3-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-(4-fluorophenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine
Formula:C24H17N4O4FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-(4-fluorophenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine is a drug-like molecule.
| MolName | (Z)-3-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-(4-fluorophenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine |
| MolecularFormula | C24H17N4O4FS |
| Smiles | [O-][N+](c(cc1)ccc1C(N1/N=C\c(cc2)cc3c2OCCO3)=CS/C1=N\c(cc1)ccc1F)=O |
| InChI | InChI=1S/C24H17FN4O4S/c25-18-4-6-19(7-5-18)27-24-28(21(15-34-24)17-2-8-20(9-3-17)29(30)31)26-14-16-1-10-22-23(13-16)33-12-11-32-22/h1-10,13-15H,11-12H2 |
| InChIK | XNPDXLVMXNACAT-UHFFFAOYSA-N |
| TotalMolweight | 476.487 |
| Molweight | 476.487 |
| MonoisotopicMass | 476.095454 |
| CLogP | 4.5221 |
| CLogS | -6.59 |
| H Acceptors | 8 |
| TotalSurfaceArea | 343.55 |
| Relative PSA | 0.27501 |
| PolarSurfaceArea | 117.54 |
| Druglikeness | -9.8207 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-3-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-(4-fluorophenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine | 2 - (Z)-3-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-(4-fluorophenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine
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