[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)benzoate
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![[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)benzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/08e64a8589c548df8933fc1cf96d8dd8.png "[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)benzoate")
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)benzoate
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CAS No:
744229-60-5
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Formula:
C21H25N3O6S
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Chemical Name:
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)benzoate
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Synonyms:
ZINC2633865;AKOS033632546;MCULE-1650866029;Z18576892;[(1-methyl-1H-pyrrole-2-carbonyl)carbamoyl]methyl 3-(azepane-1-sulfonyl)benzoate;744229-60-5
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CAS No:
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)benzoate Basic Attributes
447.5 g/mol
447.14640670 g/mol
Computed Properties
Molecular Weight:447.5
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:447.14640670
Monoisotopic Mass:447.14640670
Topological Polar Surface Area:123
Heavy Atom Count:31
Complexity:758
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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