[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate
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![[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c0278b15e48042dfae4f5689f8882fdd.png "[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate")
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate
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CAS No:
781627-87-0
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Formula:
C22H20N4O4S
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Chemical Name:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate
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Synonyms:
ZINC3351729;AKOS033512446;MCULE-2931322799;Z16599791;({3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)methyl 3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxylate;781627-87-0
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CAS No:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate Basic Attributes
436.5 g/mol
436.12052631 g/mol
Computed Properties
Molecular Weight:436.5
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:436.12052631
Monoisotopic Mass:436.12052631
Topological Polar Surface Area:140
Heavy Atom Count:31
Complexity:822
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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