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[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3-methylthiophene-2-carboxylate

[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3-methylthiophene-2-carboxylate structure

CAS No:
387854-11-7
Formula:
C17H17NO3S
Chemical Name:
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3-methylthiophene-2-carboxylate
Synonyms:
Oprea1_602072;MLS001006189;CHEMBL1504704;HMS2710D23;ZINC3257319;STL099920;AKOS005717214;MCULE-7824677853;SMR000349280;Z19758729;2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl 3-methylthiophene-2-carboxylate;2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl 3-methylthiophene-2-carboxylate;387854-11-7

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[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3-methylthiophene-2-carboxylate Basic Attributes

Molecular Weight：

315.4 g/mol

Exact Mass：

315.09291458 g/mol

Characteristics

PSA：

74.8 Å²

Water Solubility：

34.6 [ug/mL]

Computed Properties

Molecular Weight:315.4
XLogP3:3.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:315.09291458
Monoisotopic Mass:315.09291458
Topological Polar Surface Area:74.8
Heavy Atom Count:22
Complexity:428
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3-methylthiophene-2-carboxylate

Basic Attributes
Characteristics
Computed Properties
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