1,3-benzothiazol-2-ylmethyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
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1,3-benzothiazol-2-ylmethyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
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CAS No:
957013-83-1
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Formula:
C22H24N2O4S
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Chemical Name:
1,3-benzothiazol-2-ylmethyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
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Synonyms:
ZINC2640372;AKOS034826914;MCULE-8147246210;Z56978665;(1,3-benzothiazol-2-yl)methyl (2S)-2-[(2-ethoxyphenyl)formamido]-3-methylbutanoate;957013-83-1
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CAS No:
1,3-benzothiazol-2-ylmethyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate Basic Attributes
412.5 g/mol
412.14567842 g/mol
Computed Properties
Molecular Weight:412.5
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:412.14567842
Monoisotopic Mass:412.14567842
Topological Polar Surface Area:106
Heavy Atom Count:29
Complexity:559
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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