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

C23H22N2O5 | Cheminformatics
Menu

(E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-(1H-indol-3-yl)prop-2-en-1-one

Molecular Formula : C23H22N2O5 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-(1H-indol-3-yl)prop-2-en-1-one is a drug-like molecule.

MolName : (E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-(1H-indol-3-yl)prop-2-en-1-one

MolecularFormula : C23H22N2O5

Smiles : O=C(/C=C/c1c[nH]c2c1cccc2)N1CC(COc(cc2)cc3c2OCO3)OCC1

InChI : InChI=1S/C23H22N2O5/c26-23(8-5-16-12-24-20-4-2-1-3-19(16)20)25-9-10-27-18(13-25)14-28-17-6-7-21-22(11-17)30-15-29-21/h1-8,11-12,18,24H,9-10,13-15H2/t18-/m1/s1

InChIK : RHQFZQIRYPWWJQ-GOSISDBHSA-N

TotalMolweight : 406.437

Molweight : 406.437

MonoisotopicMass : 406.152873

CLogP : 3.1573

CLogS : -4.26

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 306.04

Relative PSA : 0.23062

PolarSurfaceArea : 73.02

Druglikeness : 3.2281

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.6

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 7

Electronegative Atoms : 7

StereoCenters : 1

Rotatable Bond : 5

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 10

Amides : 1

Aromatic Nitrogens : 1

StereoCon : racemate

Click to Load Molecule:
1 - (E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-(1H-indol-3-yl)prop-2-en-1-one
2 - (E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-(1H-indol-3-yl)prop-2-en-1-one
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

Request More Details | (E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-(1H-indol-3-yl)prop-2-en-1-one


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