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C25H22N4O2S | Cheminformatics
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(Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-phenylethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine

Molecular Formula : C25H22N4O2S | Mutagenic : low | Tumorigenic : none | Reproductive Effective : none |
(Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-phenylethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine is a drug-like molecule.

MolName : (Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-phenylethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine

MolecularFormula : C25H22N4O2S

Smiles : C(C/N=C1\SC=C(c(cc2)cc3c2OCCO3)N1/N=C\c1ncccc1)c1ccccc1

InChI : InChI=1S/C25H22N4O2S/c1-2-6-19(7-3-1)11-13-27-25-29(28-17-21-8-4-5-12-26-21)22(18-32-25)20-9-10-23-24(16-20)31-15-14-30-23/h1-10,12,16-18H,11,13-15H2

InChIK : DBVIAWYCCNASDU-UHFFFAOYSA-N

TotalMolweight : 442.542

Molweight : 442.542

MonoisotopicMass : 442.146346

CLogP : 4.9301

CLogS : -5.318

H Acceptors : 6

TotalSurfaceArea : 339.81

Relative PSA : 0.2208

PolarSurfaceArea : 84.61

Druglikeness : -2.602

Mutagenic : low

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.5

Fragments : 1

Non HAtoms : 32

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 6

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 7

Symmetricatoms : 2

Aromatic Nitrogens : 1

BasicNitrogens : 1

StereoCon :

Click to Load Molecule:
1 - (Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-phenylethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
2 - (Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-phenylethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
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Request More Details | (Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-phenylethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine


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