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[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate structure

CAS No:
438595-00-7
Formula:
C25H22N2O7S
Chemical Name:
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate
Synonyms:
Oprea1_249102;ZINC3241048;AKOS033638186;MCULE-6170671807;Z18715879;[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzoate;438595-00-7

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[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Basic Attributes

Molecular Weight：

494.5 g/mol

Exact Mass：

494.11477222 g/mol

Characteristics

PSA：

120 Å²

Computed Properties

Molecular Weight:494.5
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:494.11477222
Monoisotopic Mass:494.11477222
Topological Polar Surface Area:120
Heavy Atom Count:35
Complexity:876
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Basic Attributes
Characteristics
Computed Properties
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