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C23H22N3O3F5 N-[(2,4-difluorophenyl)methyl]-4-[[(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoyl]amino]piperidine-4-carboxamide | Chemryt

N-[(2,4-difluorophenyl)methyl]-4-[[(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoyl]amino]piperidine-4-carboxamide

Molecular Formula : C23H22N3O3F5 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : N-[(2,4-difluorophenyl)methyl]-4-[[(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoyl]amino]piperidine-4-carboxamide

MolecularFormula : C23H22N3O3F5

Smiles : O=C(C1(CCNCC1)NC(/C=C/c1cc(OC(F)(F)F)ccc1)=O)NCc(ccc(F)c1)c1F

InChI : InChI=1S/C23H22F5N3O3/c24-17-6-5-16(19(25)13-17)14-30-21(33)22(8-10-29-11-9-22)31-20(32)7-4-15-2-1-3-18(12-15)34-23(26,27)28/h1-7,12-13,29H,8-11,14H2,(H,30,33)(H,31,32)

InChIK : UZNBSPBRBZNBFM-UHFFFAOYSA-N

TotalMolweight : 483.436

Molweight : 483.436

MonoisotopicMass : 483.158132

CLogP : 3.3699

CLogS : -5.09

H Acceptors : 6

H Donors : 3

TotalSurfaceArea : 347.27

Relative PSA : 0.2029

PolarSurfaceArea : 79.46

Druglikeness : -4.9565

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.55882

Fragments : 1

Non HAtoms : 34

NonCHAtoms : 11

Electronegative Atoms : 11

Rotatable Bond : 8

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 9

Symmetricatoms : 4

Amides : 2

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

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