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C24H16N3O2BrF2S | Cheminformatics
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(Z)-4-(3-bromophenyl)-N-(2,4-difluorophenyl)-3-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1,3-thiazol-2-imine

Molecular 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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Request More Details | (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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