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

C21H19N3O3F2 | Cheminformatics
Menu

(E)-2-(1H-benzimidazol-2-yl)-3-[2-(difluoromethoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one

Molecular Formula : C21H19N3O3F2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-2-(1H-benzimidazol-2-yl)-3-[2-(difluoromethoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one is a drug-like molecule.

MolName : (E)-2-(1H-benzimidazol-2-yl)-3-[2-(difluoromethoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one

MolecularFormula : C21H19N3O3F2

Smiles : O=C(/C(/c1nc(cccc2)c2[nH]1)=C/c(cccc1)c1OC(F)F)N1CCOCC1

InChI : InChI=1S/C21H19F2N3O3/c22-21(23)29-18-8-4-1-5-14(18)13-15(20(27)26-9-11-28-12-10-26)19-24-16-6-2-3-7-17(16)25-19/h1-8,13,21H,9-12H2,(H,24,25)

InChIK : CNAXXFSEUBASPI-UHFFFAOYSA-N

TotalMolweight : 399.396

Molweight : 399.396

MonoisotopicMass : 399.139448

CLogP : 2.6584

CLogS : -2.77

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 295.45

Relative PSA : 0.20833

PolarSurfaceArea : 67.45

Druglikeness : 1.3447

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.41379

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 5

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 7

Symmetricatoms : 3

Amides : 1

Aromatic Nitrogens : 2

BasicNitrogens : 1

StereoCon :

Click to Load Molecule:
1 - (E)-2-(1H-benzimidazol-2-yl)-3-[2-(difluoromethoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one
2 - (E)-2-(1H-benzimidazol-2-yl)-3-[2-(difluoromethoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

Request More Details | (E)-2-(1H-benzimidazol-2-yl)-3-[2-(difluoromethoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one


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