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

C20H19N3O3 | Cheminformatics
Menu

N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide

Molecular Formula : C20H19N3O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide is a drug-like molecule.

MolName : N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide

MolecularFormula : C20H19N3O3

Smiles : O=C(CCc1c[nH]c2c1cccc2)N/N=C\c(cc1)cc2c1OCCO2

InChI : InChI=1S/C20H19N3O3/c24-20(8-6-15-13-21-17-4-2-1-3-16(15)17)23-22-12-14-5-7-18-19(11-14)26-10-9-25-18/h1-5,7,11-13,21H,6,8-10H2,(H,23,24)

InChIK : CVYDUKUNYAMNBY-UHFFFAOYSA-N

TotalMolweight : 349.389

Molweight : 349.389

MonoisotopicMass : 349.142642

CLogP : 3.6723

CLogS : -4.663

H Acceptors : 6

H Donors : 2

TotalSurfaceArea : 272.7

Relative PSA : 0.25669

PolarSurfaceArea : 75.71

Druglikeness : -3.3453

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde

Shape Index : 0.65385

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 5

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 6

Aromatic Nitrogens : 1

StereoCon :

Click to Load Molecule:
1 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide
2 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

Request More Details | N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide


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