Piperazine, 4-benzoyl-1-(2-(4-methoxy-1H-pyrrolo(2,3-b)pyridin-3-yl)-1,2-dioxoethyl)-2-methyl-, (2S)-

Base Information

• Chemical Name: Piperazine, 4-benzoyl-1-(2-(4-methoxy-1H-pyrrolo(2,3-b)pyridin-3-yl)-1,2-dioxoethyl)-2-methyl-, (2S)-
• CAS No.: 357263-14-0
• Molecular Formula: C22H22N4O4
• Molecular Weight: 406.4345
• DSSTox Substance ID: DTXSID50189258
• Nikkaji Number: J3.186.479H
• ChEMBL ID: CHEMBL2413819
• Mol file: 357263-14-0.mol

Synonyms:357263-14-0;Piperazine, 4-benzoyl-1-(2-(4-methoxy-1H-pyrrolo(2,3-b)pyridin-3-yl)-1,2-dioxoethyl)-2-methyl-, (2S)-;Piperazine, 4-benzoyl-1-[2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-dioxoethyl]-2-methyl-, (2S)-;SCHEMBL6436835;CHEMBL2413819;DTXSID50189258;NCGC00346623-01;1-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;1-(4-Benzoyl-2beta-methyl-1-piperazinyl)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridine-3-yl)-1,2-ethanedione;1-[(2S)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione

Chemical Property of Piperazine, 4-benzoyl-1-(2-(4-methoxy-1H-pyrrolo(2,3-b)pyridin-3-yl)-1,2-dioxoethyl)-2-methyl-, (2S)-

Chemical Property:

• Vapor Pressure: 2.08E-15mmHg at 25°C
• Boiling Point: 622.3°C at 760 mmHg
• Flash Point: 330.2°C
• Density: 1.328g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 406.16410520
• Heavy Atom Count: 30
• Complexity: 666

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CN(CCN1C(=O)C(=O)C2=CNC3=NC=CC(=C23)OC)C(=O)C4=CC=CC=C4
• Isomeric SMILES: C[C@H]1CN(CCN1C(=O)C(=O)C2=CNC3=NC=CC(=C23)OC)C(=O)C4=CC=CC=C4