 Home > Encyclopedia > 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanone

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanone

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanone structure

CAS No:
454190-94-4
Formula:
C20H20N2O4S2
Chemical Name:
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanone
Synonyms:
Oprea1_273635;ZINC3264543;AKOS034461354;MCULE-1022781141;Z56853178;2-{[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one;454190-94-4

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1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanone Basic Attributes

Molecular Weight：

416.5 g/mol

Exact Mass：

416.08644947 g/mol

Characteristics

PSA：

114 Å²

Computed Properties

Molecular Weight:416.5
XLogP3:3.3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:416.08644947
Monoisotopic Mass:416.08644947
Topological Polar Surface Area:114
Heavy Atom Count:28
Complexity:666
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanone

Basic Attributes
Characteristics
Computed Properties

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