Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

C25H21N3O2S | Cheminformatics

(Z)-N-benzyl-3-[(Z)-benzylideneamino]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-imine

Molecular Formula : C25H21N3O2S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(Z)-N-benzyl-3-[(Z)-benzylideneamino]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-imine is not a drug-like molecule.

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

MolecularFormula : C25H21N3O2S

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

InChI : InChI=1S/C25H21N3O2S/c1-3-7-19(8-4-1)16-26-25-28(27-17-20-9-5-2-6-10-20)22(18-31-25)21-11-12-23-24(15-21)30-14-13-29-23/h1-12,15,17-18H,13-14,16H2

InChIK : DRPPUEFNBCZZTQ-UHFFFAOYSA-N

TotalMolweight : 427.527

Molweight : 427.527

MonoisotopicMass : 427.135447

CLogP : 5.4469

CLogS : -5.977

H Acceptors : 5

TotalSurfaceArea : 327.29

Relative PSA : 0.19573

PolarSurfaceArea : 71.72

Druglikeness : -2.7773

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.48387

Fragments : 1

Non HAtoms : 31

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 5

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 6

Symmetricatoms : 4

BasicNitrogens : 1

StereoCon :

Request More Details | (Z)-N-benzyl-3-[(Z)-benzylideneamino]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-imine


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments