[6-(4-Methylpiperazin-1-yl)benzo[b][1,4]benzoxazepin-8-yl] trifluoromethanesulfonate

Base Information

• Chemical Name: [6-(4-Methylpiperazin-1-yl)benzo[b][1,4]benzoxazepin-8-yl] trifluoromethanesulfonate
• CAS No.: 183140-98-9
• Molecular Formula: C19H18F3N3O4S
• Molecular Weight: 441.4
• ChEMBL ID: CHEMBL430798
• Nikkaji Number: J780.416D
• Pharos Ligand ID: PFDSPU7LB8WS
• Mol file: 183140-98-9.mol

Synonyms:GMC 2-83;183140-98-9;[6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepin-8-yl] trifluoromethanesulfonate;CHEMBL430798;GMC-283;DQNCRNVCBHYBQP-UHFFFAOYSA-N;BDBM50078062;E98690;11-(4-Methylpiperazin-1-yl)dibenzo[b,f][1,4]oxazepin-2-yl trifluoromethanesulfonate;Trifluoro-methanesulfonic acid 11-(4-methyl-piperazin-1-yl)-dibenzo[b,f][1,4]oxazepin-2-yl ester

Chemical Property of [6-(4-Methylpiperazin-1-yl)benzo[b][1,4]benzoxazepin-8-yl] trifluoromethanesulfonate

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 441.09701172
• Heavy Atom Count: 30
• Complexity: 747

Purity/Quality:

99% ^*data from raw suppliers

GMC 2-83 95.00% ^*data from reagent suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)OS(=O)(=O)C(F)(F)F

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