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Home > Encyclopedia > ethyl 2-[[4-ethyl-5-[(2-oxoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methylquinoline-3-carboxylate

ethyl 2-[[4-ethyl-5-[(2-oxoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methylquinoline-3-carboxylate

ethyl 2-[[4-ethyl-5-[(2-oxoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methylquinoline-3-carboxylate structure

ethyl 2-[[4-ethyl-5-[(2-oxoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methylquinoline-3-carboxylate 

structure
  • CAS No:

    794570-38-0

  • Formula:

    C25H31N5O3S

  • Chemical Name:

    ethyl 2-[[4-ethyl-5-[(2-oxoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methylquinoline-3-carboxylate

  • Synonyms:

    HMS1773L16;ZINC3324507;AKOS033586045;MCULE-6994691681;Z17777294;794570-38-0;ethyl 2-[({4-ethyl-5-[(2-oxoazepan-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4-methylquinoline-3-carboxylate

ethyl 2-[[4-ethyl-5-[(2-oxoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methylquinoline-3-carboxylate Basic Attributes

481.6 g/mol

481.21476104 g/mol

Characteristics

116 Ų

Computed Properties

Molecular Weight:481.6
XLogP3:3.1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:481.21476104
Monoisotopic Mass:481.21476104
Topological Polar Surface Area:116
Heavy Atom Count:34
Complexity:698
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of ethyl 2-[[4-ethyl-5-[(2-oxoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methylquinoline-3-carboxylate

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