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1396998-68-7

1396998-68-7 structural image
Product Name: ETHYL 2-[(TERT-BUTOXYCARBONYL)AMINO]-3-[(3-CHLOROBENZOYL)SULFANYL]PROPANOATE
Formula: C17H22ClNO5S
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COMPUTED DESCRIPTORS

Molecular Weight 387.9 g/mol
XLogP3 4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 10
Exact Mass 387.0907217 g/mol
Monoisotopic Mass 387.0907217 g/mol
Topological Polar Surface Area 107 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 480
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes