Benzenebutanoic acid, α-[[(3R)-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3-yl]amino]-, ethyl ester, (αS)-rel-
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![Benzenebutanoic acid, α-[[(3R)-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3-yl]amino]-, ethyl ester, (αS)-rel- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/05841ac431c446c6b8484921a202bf61.png "Benzenebutanoic acid, α-[[(3R)-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3-yl]amino]-, ethyl ester, (αS)-rel-")
Benzenebutanoic acid, α-[[(3R)-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3-yl]amino]-, ethyl ester, (αS)-rel-
structure -
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CAS No:
86499-39-0
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Formula:
C22H26N2O3
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Chemical Name:
Benzenebutanoic acid, α-[[(3R)-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3-yl]amino]-, ethyl ester, (αS)-rel-
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Synonyms:
Benzenebutanoic acid,α-[[(3R)-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3-yl]amino]-,ethyl ester,(αS)-rel-;Benzenebutanoic acid,α-[(2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3-yl)amino]-,ethyl ester,(R*,S*)-(±)-;Benzenebutanoic acid,α-[(2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3-yl)amino]-,ethyl ester,(R*,S*)-;1H-1-Benzazepine,benzenebutanoic acid deriv.
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CAS No:
Benzenebutanoic acid, α-[[(3R)-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3-yl]amino]-, ethyl ester, (αS)-rel- Basic Attributes
366.45
366.45
DTXSID70676337
Computed Properties
Molecular Weight:366.5
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:366.19434270
Monoisotopic Mass:366.19434270
Topological Polar Surface Area:67.4
Heavy Atom Count:27
Complexity:490
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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