5-{[(5S)-6-methyl-2H,5H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl}-2H-1,3-benzodioxole-4-carbaldehyde

AlkaPlorer ID: AK247634

Synonym: None

IUPAC Name: 5-[[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]-1,3-benzodioxole-4-carbaldehyde

Structure

SMILES: CN1CCC2=CC3=C(C=C2[C@@H]1CC1=CC=C2OCOC2=C1C=O)OCO3

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InChI: InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(21)6-12-2-3-17-20(15(12)9-22)26-11-23-17/h2-3,7-9,16H,4-6,10-11H2,1H3/t16-/m0/s1

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InChIKey: HYWZGQMUNYHGNN-INIZCTEOSA-N

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Source

Properties Information

Molecule Weight: 353.3740000000001

TPSA: 57.23

MolLogP: 2.728200000000001

Number of H-Donors: 0

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information