(Z)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine
Formula:C23H17N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine is not a drug-like molecule.
| MolName | (Z)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine |
| MolecularFormula | C23H17N3O2S |
| Smiles | C1Oc(cc(/C=N\N=C2\SC=C(c3ccccc3)N2c2ccccc2)cc2)c2O1 |
| InChI | InChI=1S/C23H17N3O2S/c1-3-7-18(8-4-1)20-15-29-23(26(20)19-9-5-2-6-10-19)25-24-14-17-11-12-21-22(13-17)28-16-27-21/h1-15H,16H2 |
| InChIK | OVXWHHCZPOKJFE-UHFFFAOYSA-N |
| TotalMolweight | 399.473 |
| Molweight | 399.473 |
| MonoisotopicMass | 399.104147 |
| CLogP | 7.0648 |
| CLogS | -7.207 |
| H Acceptors | 5 |
| TotalSurfaceArea | 299.77 |
| Relative PSA | 0.2137 |
| PolarSurfaceArea | 71.72 |
| Druglikeness | 3.2621 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (Z)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine | 2 - (Z)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine
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