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C22H25N5O 2-amino-N-[(Z)-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]benzamide | Chemryt

2-amino-N-[(Z)-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]benzamide

Molecular Formula : C22H25N5O | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : 2-amino-N-[(Z)-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]benzamide

MolecularFormula : C22H25N5O

Smiles : Nc(cccc1)c1C(N/N=C(/C(C1)CN(C2)CCN1C1)\C12c1ccccc1)=O

InChI : InChI=1S/C22H25N5O/c23-19-9-5-4-8-18(19)21(28)25-24-20-16-12-26-10-11-27(13-16)15-22(20,14-26)17-6-2-1-3-7-17/h1-9,16H,10-15,23H2,(H,25,28)

InChIK : BSDPLZFQYYDTBA-UHFFFAOYSA-N

TotalMolweight : 375.475

Molweight : 375.475

MonoisotopicMass : 375.20591

CLogP : 2.0195

CLogS : -3.069

H Acceptors : 6

H Donors : 2

TotalSurfaceArea : 279.29

Relative PSA : 0.20903

PolarSurfaceArea : 73.96

Druglikeness : 6.1576

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone

Shape Index : 0.46429

Fragments : 1

Non HAtoms : 28

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 3

Rings Closures : 5

Small Rings : 6

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 10

Symmetricatoms : 6

Amines : 3

AlkylAmines : 2

Aromatic Amines : 1

BasicNitrogens : 2

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