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C19H24N3OS N-(furan-2-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide | Chemryt

N-(furan-2-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide

Molecular Formula : C19H24N3OS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : N-(furan-2-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide

MolecularFormula : C19H24N3OS

Smiles : S=C(NCc1ccco1)N1CC[NH+](C/C=C/c2ccccc2)CC1

InChI : InChI=1S/C19H23N3OS/c24-19(20-16-18-9-5-15-23-18)22-13-11-21(12-14-22)10-4-8-17-6-2-1-3-7-17/h1-9,15H,10-14,16H2,(H,20,24)/p+1

InChIK : GMPZVJIOGUGWDI-UHFFFAOYSA-O

TotalMolweight : 342.486

Molweight : 342.486

MonoisotopicMass : 342.164007

CLogP : 0.8016

CLogS : -2.766

H Acceptors : 4

H Donors : 2

TotalSurfaceArea : 297.08

Relative PSA : 0.25148

PolarSurfaceArea : 64.94

Druglikeness : 1.707

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : thio-amide/urea

Shape Index : 0.70833

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 8

Symmetricatoms : 4

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

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