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C20H24N4OBr | Cheminformatics
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N-[(Z)-(2-bromophenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

Molecular Formula : C20H24N4OBr | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N-[(Z)-(2-bromophenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide is a drug-like molecule.

MolName : N-[(Z)-(2-bromophenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

MolecularFormula : C20H24N4OBr

Smiles : O=C(CC[NH+](CC1)CCN1c1ccccc1)N/N=C\c(cccc1)c1Br

InChI : InChI=1S/C20H23BrN4O/c21-19-9-5-4-6-17(19)16-22-23-20(26)10-11-24-12-14-25(15-13-24)18-7-2-1-3-8-18/h1-9,16H,10-15H2,(H,23,26)/p+1

InChIK : BBZKHHMRGDHYAO-UHFFFAOYSA-O

TotalMolweight : 416.342

Molweight : 416.342

MonoisotopicMass : 415.113347

CLogP : 1.6948

CLogS : -4.192

H Acceptors : 5

H Donors : 2

TotalSurfaceArea : 309.32

Relative PSA : 0.18476

PolarSurfaceArea : 49.14

Druglikeness : 4.0139

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde

Shape Index : 0.69231

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 7

Symmetricatoms : 4

Amines : 2

AlkylAmines : 1

Aromatic Amines : 1

BasicNitrogens : 1

StereoCon :

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