(6-chloro-4-ethyl-2-oxochromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate
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![(6-chloro-4-ethyl-2-oxochromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0b2ef20f6a8a492e8e18bee2b681597d.png "(6-chloro-4-ethyl-2-oxochromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate")
(6-chloro-4-ethyl-2-oxochromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate
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CAS No:
956777-72-3
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Formula:
C21H26ClNO6S
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Chemical Name:
(6-chloro-4-ethyl-2-oxochromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate
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Synonyms:
ZINC2094815;AKOS030497646;(S)-6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate;956777-72-3
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CAS No:
(6-chloro-4-ethyl-2-oxochromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate Basic Attributes
456.0 g/mol
455.1169364 g/mol
Computed Properties
Molecular Weight:456.0
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:455.1169364
Monoisotopic Mass:455.1169364
Topological Polar Surface Area:116
Heavy Atom Count:30
Complexity:677
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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