(Z)-4-(3-bromophenyl)-N-(2,4-difluorophenyl)-3-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1,3-thiazol-2-imine
Formula:C24H16N3O2BrF2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-4-(3-bromophenyl)-N-(2,4-difluorophenyl)-3-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1,3-thiazol-2-imine is not a drug-like molecule.
| MolName | (Z)-4-(3-bromophenyl)-N-(2,4-difluorophenyl)-3-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1,3-thiazol-2-imine |
| MolecularFormula | C24H16N3O2BrF2S |
| Smiles | Fc(cc1)cc(F)c1/N=C1\SC=C(c2cccc(Br)c2)N1/N=C\c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C24H16BrF2N3O2S/c25-17-3-1-2-16(11-17)21-14-33-24(29-20-6-5-18(26)12-19(20)27)30(21)28-13-15-4-7-22-23(10-15)32-9-8-31-22/h1-7,10-14H,8-9H2 |
| InChIK | XUJKRIARGJTISZ-UHFFFAOYSA-N |
| TotalMolweight | 528.376 |
| Molweight | 528.376 |
| MonoisotopicMass | 527.011464 |
| CLogP | 6.2697 |
| CLogS | -7.278 |
| H Acceptors | 5 |
| TotalSurfaceArea | 344.86 |
| Relative PSA | 0.18576 |
| PolarSurfaceArea | 71.72 |
| Druglikeness | -6.4935 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-4-(3-bromophenyl)-N-(2,4-difluorophenyl)-3-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1,3-thiazol-2-imine | 2 - (Z)-4-(3-bromophenyl)-N-(2,4-difluorophenyl)-3-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1,3-thiazol-2-imine
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