 Home > Encyclopedia > 2-[4-[4-(2,4-dioxo-1-thia-3-azaspiro[4.4]nonan-3-yl)butyl]piperazin-1-yl]pyridine-3-carbonitrile;hydrochloride

2-[4-[4-(2,4-dioxo-1-thia-3-azaspiro[4.4]nonan-3-yl)butyl]piperazin-1-yl]pyridine-3-carbonitrile;hydrochloride

2-[4-[4-(2,4-dioxo-1-thia-3-azaspiro[4.4]nonan-3-yl)butyl]piperazin-1-yl]pyridine-3-carbonitrile;hydrochloride structure

CAS No:
85581-65-3
Formula:
C21H28ClN5O2S
Chemical Name:
2-[4-[4-(2,4-dioxo-1-thia-3-azaspiro[4.4]nonan-3-yl)butyl]piperazin-1-yl]pyridine-3-carbonitrile;hydrochloride
Synonyms:
2-(4-(4-(7,9-dioxo-6-thia-8-azaspiro(4,4)nonan-8-yl)butyl)-1-piperazinyl)pyridine-3-carbonitrile HCl;BMY 13980;BMY-13980-1;MJ 13980-1;MJ-13980-1;MJ 13980-1;85581-65-3;Bmy 13980;Bmy-13980-1;MJ-13980-1;3-Pyridinecarbonitrile, 2-(4-(4-(2,4-dioxo-1-thia-3-azaspiro(4.4)non-3-yl)butyl)-1-piperazinyl)-, monohydrochloride;SCHEMBL11064235;DTXSID00234787;2-(4-(4-(7,9-Dioxo-6-thia-8-azaspiro(4,4)nonan-8-yl)butyl)-1-piperazinyl)pyridine-3-carbonitrile hcl

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2-[4-[4-(2,4-dioxo-1-thia-3-azaspiro[4.4]nonan-3-yl)butyl]piperazin-1-yl]pyridine-3-carbonitrile;hydrochloride Basic Attributes

Molecular Weight：

450.0 g/mol

Exact Mass：

449.1652240 g/mol

DSSTox ID：

DTXSID00234787

Characteristics

PSA：

106 Å²

Drug Information

MeSH Entry Terms：

2-(4-(4-(7,9-dioxo-6-thia-8-azaspiro(4,4)nonan-8-yl)butyl)-1-piperazinyl)pyridine-3-carbonitrile HCl

Computed Properties

Molecular Weight:450.0
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:449.1652240
Monoisotopic Mass:449.1652240
Topological Polar Surface Area:106
Heavy Atom Count:30
Complexity:663
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 2-[4-[4-(2,4-dioxo-1-thia-3-azaspiro[4.4]nonan-3-yl)butyl]piperazin-1-yl]pyridine-3-carbonitrile;hydrochloride

Basic Attributes
Characteristics
Drug Information
Computed Properties

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