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Home > Encyclopedia > methyl (2R)-2-[4-(1,3-benzothiazol-2-yl)butanoylamino]-3-(1H-indol-3-yl)propanoate

methyl (2R)-2-[4-(1,3-benzothiazol-2-yl)butanoylamino]-3-(1H-indol-3-yl)propanoate

methyl (2R)-2-[4-(1,3-benzothiazol-2-yl)butanoylamino]-3-(1H-indol-3-yl)propanoate structure

methyl (2R)-2-[4-(1,3-benzothiazol-2-yl)butanoylamino]-3-(1H-indol-3-yl)propanoate 

structure
  • CAS No:

    956239-73-9

  • Formula:

    C23H23N3O3S

  • Chemical Name:

    methyl (2R)-2-[4-(1,3-benzothiazol-2-yl)butanoylamino]-3-(1H-indol-3-yl)propanoate

  • Synonyms:

    ZINC3333842;AKOS034827803;MCULE-2411719306;Z57050987;methyl (2R)-2-[4-(1,3-benzothiazol-2-yl)butanamido]-3-(1H-indol-3-yl)propanoate;956239-73-9

methyl (2R)-2-[4-(1,3-benzothiazol-2-yl)butanoylamino]-3-(1H-indol-3-yl)propanoate Basic Attributes

421.5 g/mol

421.14601278 g/mol

Characteristics

112 Ų

Computed Properties

Molecular Weight:421.5
XLogP3:4.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:421.14601278
Monoisotopic Mass:421.14601278
Topological Polar Surface Area:112
Heavy Atom Count:30
Complexity:604
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl (2R)-2-[4-(1,3-benzothiazol-2-yl)butanoylamino]-3-(1H-indol-3-yl)propanoate

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