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C18H14N3O2ClS | Cheminformatics

N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine

Molecular Formula : C18H14N3O2ClS | Mutagenic : none | Tumorigenic : high | Reproductive Effective : none |
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine is not a drug-like molecule.

MolName : N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine

MolecularFormula : C18H14N3O2ClS

Smiles : Clc1c(/C=N\Nc2nc(-c(cc3)cc4c3OCCO4)cs2)cccc1

InChI : InChI=1S/C18H14ClN3O2S/c19-14-4-2-1-3-13(14)10-20-22-18-21-15(11-25-18)12-5-6-16-17(9-12)24-8-7-23-16/h1-6,9-11H,7-8H2,(H,21,22)

InChIK : MTMVHKHACAOFSH-UHFFFAOYSA-N

TotalMolweight : 371.847

Molweight : 371.847

MonoisotopicMass : 371.049524

CLogP : 6.8012

CLogS : -5.578

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 273.14

Relative PSA : 0.27202

PolarSurfaceArea : 83.98

Druglikeness : -3.3287

Mutagenic : none

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.64

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 4

Aromatic Nitrogens : 1

BasicNitrogens : 1

StereoCon :

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