Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

C21H24N3O2P N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2-diphenylphosphorylacetamide | Chemryt

N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2-diphenylphosphorylacetamide

Molecular Formula : C21H24N3O2P | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2-diphenylphosphorylacetamide

MolecularFormula : C21H24N3O2P

Smiles : O=C(CP(c1ccccc1)(c1ccccc1)=O)N/N=C1/C(CC2)CCN2C1

InChI : InChI=1S/C21H24N3O2P/c25-21(23-22-20-15-24-13-11-17(20)12-14-24)16-27(26,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,23,25)

InChIK : CUWNHKJBXCRJQP-UHFFFAOYSA-N

TotalMolweight : 381.415

Molweight : 381.415

MonoisotopicMass : 381.160614

CLogP : 3.0439

CLogS : -4.33

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 287.33

Relative PSA : 0.19692

PolarSurfaceArea : 71.58

Druglikeness : -6.5567

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : high

Nasty Functions : acyl-hydrazone

Shape Index : 0.48148

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 5

Rings Closures : 4

Small Rings : 5

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 9

Symmetricatoms : 10

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

Request More Details | N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2-diphenylphosphorylacetamide


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments