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C22H19N3O3 | Cheminformatics
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(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide

Molecular Formula : C22H19N3O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide is a drug-like molecule.

MolName : (E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide

MolecularFormula : C22H19N3O3

Smiles : N#C/C(/C(NCCc1c[nH]c2c1cccc2)=O)=C\c(cc1)cc2c1OCCO2

InChI : InChI=1S/C22H19N3O3/c23-13-17(11-15-5-6-20-21(12-15)28-10-9-27-20)22(26)24-8-7-16-14-25-19-4-2-1-3-18(16)19/h1-6,11-12,14,25H,7-10H2,(H,24,26)

InChIK : VSYPURZQGRIPHY-UHFFFAOYSA-N

TotalMolweight : 373.411

Molweight : 373.411

MonoisotopicMass : 373.142642

CLogP : 3.146

CLogS : -4.405

H Acceptors : 6

H Donors : 2

TotalSurfaceArea : 294.36

Relative PSA : 0.24477

PolarSurfaceArea : 87.14

Druglikeness : -8.0361

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : twice activated DB

Shape Index : 0.60714

Fragments : 1

Non HAtoms : 28

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 5

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 6

Amides : 1

Aromatic Nitrogens : 1

StereoCon :

Click to Load Molecule:
1 - (E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
2 - (E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
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