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

C22H20N2O2 | Cheminformatics
Menu

(E)-3-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-10-yl)-N-(2-phenylethyl)prop-2-enamide

Molecular Formula : C22H20N2O2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-3-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-10-yl)-N-(2-phenylethyl)prop-2-enamide is a drug-like molecule.

MolName : (E)-3-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-10-yl)-N-(2-phenylethyl)prop-2-enamide

MolecularFormula : C22H20N2O2

Smiles : O=C(/C=C/C1=Cc(cccc2CC3)c2N3C1=O)NCCc1ccccc1

InChI : InChI=1S/C22H20N2O2/c25-20(23-13-11-16-5-2-1-3-6-16)10-9-19-15-18-8-4-7-17-12-14-24(21(17)18)22(19)26/h1-10,15H,11-14H2,(H,23,25)

InChIK : BGBIFUIBMJUPPL-UHFFFAOYSA-N

TotalMolweight : 344.413

Molweight : 344.413

MonoisotopicMass : 344.152478

CLogP : 3.1738

CLogS : -4.075

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 269.53

Relative PSA : 0.15245

PolarSurfaceArea : 49.41

Druglikeness : 3.342

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.61538

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 5

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 4

Symmetricatoms : 2

Amides : 2

StereoCon :

Click to Load Molecule:
1 - (E)-3-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-10-yl)-N-(2-phenylethyl)prop-2-enamide
2 - (E)-3-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-10-yl)-N-(2-phenylethyl)prop-2-enamide
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

Request More Details | (E)-3-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-10-yl)-N-(2-phenylethyl)prop-2-enamide


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