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Home > Encyclopedia > 3-[2-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid

3-[2-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid

3-[2-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid structure

3-[2-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid 

structure
  • CAS No:

    736959-96-9

  • Formula:

    C22H21N3O6S

  • Chemical Name:

    3-[2-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid

  • Synonyms:

    ZINC3249255;MCULE-6465661713;Z19629174;3-({[3-(methoxycarbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]carbamoyl}methyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid;736959-96-9

3-[2-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Basic Attributes

455.5 g/mol

455.11510657 g/mol

Characteristics

154 Ų

Computed Properties

Molecular Weight:455.5
XLogP3:3.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:455.11510657
Monoisotopic Mass:455.11510657
Topological Polar Surface Area:154
Heavy Atom Count:32
Complexity:818
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 3-[2-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid

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