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C19H16N3O2ClS | Cheminformatics

N-[(Z)-(2-chlorophenyl)methylideneamino]-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-amine

Molecular Formula : C19H16N3O2ClS | Mutagenic : none | Tumorigenic : high | Reproductive Effective : none |
N-[(Z)-(2-chlorophenyl)methylideneamino]-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-amine is not a drug-like molecule.

MolName : N-[(Z)-(2-chlorophenyl)methylideneamino]-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-amine

MolecularFormula : C19H16N3O2ClS

Smiles : Clc1c(/C=N\Nc2ncc(-c(cc3)cc4c3OCCCO4)s2)cccc1

InChI : InChI=1S/C19H16ClN3O2S/c20-15-5-2-1-4-14(15)11-22-23-19-21-12-18(26-19)13-6-7-16-17(10-13)25-9-3-8-24-16/h1-2,4-7,10-12H,3,8-9H2,(H,21,23)

InChIK : VRVVPJGNLAIBEN-UHFFFAOYSA-N

TotalMolweight : 385.874

Molweight : 385.874

MonoisotopicMass : 385.065174

CLogP : 7.2913

CLogS : -6.177

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 286.9

Relative PSA : 0.25898

PolarSurfaceArea : 83.98

Druglikeness : 2.6997

Mutagenic : none

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.61538

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 5

Aromatic Nitrogens : 1

BasicNitrogens : 1

StereoCon :

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