4-(2-spiro[1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]-5-ylethylamino)benzoic acid
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![4-(2-spiro[1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]-5-ylethylamino)benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7d29db46a93f49df8bb89751dc9319ce.png "4-(2-spiro[1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]-5-ylethylamino)benzoic acid")
4-(2-spiro[1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]-5-ylethylamino)benzoic acid
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CAS No:
133308-00-6
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Formula:
C25H29N3O2
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Chemical Name:
4-(2-spiro[1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]-5-ylethylamino)benzoic acid
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Synonyms:
Benzoic acid,4-((2-(1,2,3,10a-tetrahydrospiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9),1'-cyclopent)-9-yl)ethyl)amino);
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CAS No:
4-(2-spiro[1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]-5-ylethylamino)benzoic acid Basic Attributes
403.51700
403.22597718
Computed Properties
Molecular Weight:403.5
XLogP3:4.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:403.22597718
Monoisotopic Mass:403.22597718
Topological Polar Surface Area:64.9
Heavy Atom Count:30
Complexity:649
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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