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[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate structure

CAS No:
474493-79-3
Formula:
C23H22N2O6S
Chemical Name:
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate
Synonyms:
MLS000054069;SMR000061445;Oprea1_376592;MLS000863937;CHEMBL1367590;BDBM39991;cid_2357510;HMS2154E24;HMS3307N06;ZINC3239940;AKOS033638182;MCULE-3076451168;[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate;Z18715837;[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate;{[(furan-2-yl)methyl]carbamoyl}methyl 3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzoate;3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester;3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-(2-furfurylamino)-2-keto-ethyl] ester;474493-79-3

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[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Basic Attributes

Molecular Weight：

454.5 g/mol

Exact Mass：

454.11985760 g/mol

Characteristics

PSA：

114 Å²

Computed Properties

Molecular Weight:454.5
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:454.11985760
Monoisotopic Mass:454.11985760
Topological Polar Surface Area:114
Heavy Atom Count:32
Complexity:767
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Basic Attributes
Characteristics
Computed Properties
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