[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
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![[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/fbb6c2bf2e964f38a9191a540197dda8.png "[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate")
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
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CAS No:
477764-73-1
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Formula:
C23H25ClN2O4
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Chemical Name:
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
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Synonyms:
ZINC3224235;AKOS034826267;MCULE-7128783616;Z56861322;2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl (2S)-2-[(2-chlorophenyl)formamido]-3-methylbutanoate;477764-73-1
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CAS No:
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate Basic Attributes
428.9 g/mol
428.1502850 g/mol
Computed Properties
Molecular Weight:428.9
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:428.1502850
Monoisotopic Mass:428.1502850
Topological Polar Surface Area:75.7
Heavy Atom Count:30
Complexity:626
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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