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[2-oxo-2-(prop-2-enylamino)ethyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

[2-oxo-2-(prop-2-enylamino)ethyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate structure

CAS No:
558450-17-2
Formula:
C21H22N2O5S
Chemical Name:
[2-oxo-2-(prop-2-enylamino)ethyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate
Synonyms:
ZINC2617332;AKOS002443122;MCULE-8604850543;AB00723244-01;Z15610869;[(prop-2-en-1-yl)carbamoyl]methyl 4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzoate;558450-17-2

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[2-oxo-2-(prop-2-enylamino)ethyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Basic Attributes

Molecular Weight：

414.5 g/mol

Exact Mass：

414.12494298 g/mol

Characteristics

PSA：

101 Å²

Computed Properties

Molecular Weight:414.5
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:414.12494298
Monoisotopic Mass:414.12494298
Topological Polar Surface Area:101
Heavy Atom Count:29
Complexity:694
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-oxo-2-(prop-2-enylamino)ethyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Basic Attributes
Characteristics
Computed Properties
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