[2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate
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![[2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1d2edcfbb57e4b069b30a8e7d48ef4c8.png "[2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate")
[2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate
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CAS No:
728922-46-1
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Formula:
C21H20N4O5S
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Chemical Name:
[2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate
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Synonyms:
ZINC3299479;AKOS033512451;MCULE-8596434650;SR-01000048780;SR-01000048780-1;Z16599794;[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxylate;728922-46-1
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CAS No:
[2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate Basic Attributes
440.5 g/mol
440.11544092 g/mol
Computed Properties
Molecular Weight:440.5
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:440.11544092
Monoisotopic Mass:440.11544092
Topological Polar Surface Area:159
Heavy Atom Count:31
Complexity:803
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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