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4-[[(1S)-2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-(4-methyl-2-oxopiperazin-1-yl)-3,4-dihydro-1H-isoquinoline-1-carbonyl]amino]benzoic acid

CAS No. : 1430114-34-3


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Property NameProperty ValueReference
Molecular Weight659.1 g/molComputed by PubChem 2.1 (PubChem release 2019.06.18)
XLogP3-AA0.9Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Hydrogen Bond Donor Count2Computed by Cactvs (PubChem release 2019.06.18)
Hydrogen Bond Acceptor Count10Computed by Cactvs (PubChem release 2019.06.18)
Rotatable Bond Count7Computed by Cactvs (PubChem release 2019.06.18)
Exact Mass658.185522 g/molComputed by PubChem 2.1 (PubChem release 2019.06.18)
Monoisotopic Mass658.185522 g/molComputed by PubChem 2.1 (PubChem release 2019.06.18)
Topological Polar Surface Area154 ŲComputed by Cactvs (PubChem release 2019.06.18)
Heavy Atom Count47Computed by PubChem
Formal Charge0Computed by PubChem
Complexity1210Computed by Cactvs (PubChem release 2019.06.18)
Isotope Atom Count0Computed by PubChem
Defined Atom Stereocenter Count1Computed by PubChem
Undefined Atom Stereocenter Count0Computed by PubChem
Defined Bond Stereocenter Count1Computed by PubChem
Undefined Bond Stereocenter Count0Computed by PubChem
Covalently-Bonded Unit Count1Computed by PubChem
Compound Is CanonicalizedYesComputed by PubChem (release 2012.11.26)