 Home > Encyclopedia > ethyl (3S)-3-[[2-(1-oxo-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)acetyl]amino]pent-4-ynoate

ethyl (3S)-3-[[2-(1-oxo-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)acetyl]amino]pent-4-ynoate

ethyl (3S)-3-[[2-(1-oxo-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)acetyl]amino]pent-4-ynoate structure

CAS No:
183745-58-6
Formula:
C22H28N4O4
Chemical Name:
ethyl (3S)-3-[[2-(1-oxo-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)acetyl]amino]pent-4-ynoate
Synonyms:
L-767685;183745-58-6;ethyl (S)-3-(2-(1-oxo-7-(piperazin-1-yl)-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)pent-4-ynoate;L 767685;CHEMBL116568;DTXSID10939751;ethyl (3S)-3-[[2-(1-oxo-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)acetyl]amino]pent-4-ynoate;(S)-3-[2-[(1-Oxo-7-piperazino-1,2,3,4-tetrahydroisoquinolin)-2-yl]acetylamino]-4-pentynoic acid ethyl ester;N-(5-Ethoxy-5-oxopent-1-yn-3-yl)-2-[1-oxo-7-(piperazin-1-yl)-3,4-dihydroisoquinolin-2(1H)-yl]ethanimidic acid

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ethyl (3S)-3-[[2-(1-oxo-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)acetyl]amino]pent-4-ynoate Basic Attributes

Molecular Weight：

412.5 g/mol

Exact Mass：

412.21105539 g/mol

Characteristics

PSA：

91 Å²

Computed Properties

Molecular Weight:412.5
XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:412.21105539
Monoisotopic Mass:412.21105539
Topological Polar Surface Area:91
Heavy Atom Count:30
Complexity:682
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl (3S)-3-[[2-(1-oxo-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)acetyl]amino]pent-4-ynoate

Basic Attributes
Characteristics
Computed Properties
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