methyl 2-[[2-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]oxyacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
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methyl 2-[[2-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]oxyacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
structure -
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CAS No:
785702-39-8
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Formula:
C23H23N3O7S
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Chemical Name:
methyl 2-[[2-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]oxyacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
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Synonyms:
ZINC2627193;AKOS033484032;MCULE-3397886926;Z16297358;785702-39-8;methyl 2-(2-{[2-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-2-yl)acetyl]oxy}acetamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate
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CAS No:
methyl 2-[[2-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]oxyacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Basic Attributes
485.5 g/mol
485.12567125 g/mol
Computed Properties
Molecular Weight:485.5
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:485.12567125
Monoisotopic Mass:485.12567125
Topological Polar Surface Area:159
Heavy Atom Count:34
Complexity:837
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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