(Z)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(4-nitrophenyl)-3-phenyl-1,3-thiazol-2-imine
Formula:C23H16N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(4-nitrophenyl)-3-phenyl-1,3-thiazol-2-imine is not a drug-like molecule.
| MolName | (Z)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(4-nitrophenyl)-3-phenyl-1,3-thiazol-2-imine |
| MolecularFormula | C23H16N4O4S |
| Smiles | [O-][N+](c(cc1)ccc1C(N1c2ccccc2)=CS/C1=N/N=C\c(cc1)cc2c1OCO2)=O |
| InChI | InChI=1S/C23H16N4O4S/c28-27(29)19-9-7-17(8-10-19)20-14-32-23(26(20)18-4-2-1-3-5-18)25-24-13-16-6-11-21-22(12-16)31-15-30-21/h1-14H,15H2 |
| InChIK | MSZAVJVUUUFGQX-UHFFFAOYSA-N |
| TotalMolweight | 444.47 |
| Molweight | 444.47 |
| MonoisotopicMass | 444.089226 |
| CLogP | 6.1432 |
| CLogS | -7.667 |
| H Acceptors | 8 |
| TotalSurfaceArea | 323.44 |
| Relative PSA | 0.29211 |
| PolarSurfaceArea | 117.54 |
| Druglikeness | -1.8735 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (Z)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(4-nitrophenyl)-3-phenyl-1,3-thiazol-2-imine | 2 - (Z)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(4-nitrophenyl)-3-phenyl-1,3-thiazol-2-imine
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