 Home > Encyclopedia > 8-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-1-thia-4,8-diazaspiro[ 4.5]decan-3-one (2E)-2-butenedioate (1:1)

8-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-1-thia-4,8-diazaspiro[ 4.5]decan-3-one (2E)-2-butenedioate (1:1)

8-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-1-thia-4,8-diazaspiro[ 4.5]decan-3-one (2E)-2-butenedioate (1:1) structure

CAS No:
24868-62-0
Formula:
C20H24N2O7S
Chemical Name:
8-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-1-thia-4,8-diazaspiro[ 4.5]decan-3-one (2E)-2-butenedioate (1:1)

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8-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-1-thia-4,8-diazaspiro[ 4.5]decan-3-one (2E)-2-butenedioate (1:1) Basic Attributes

Molecular Weight：

436.47900

Exact Mass：

436.13042228 g/mol

Characteristics

PSA：

154.19000

XLogP3：

1.40710

Boiling Point：

549.1ºC

Flash Point：

285.9ºC

Vapor Pressure：

4.14E-12mmHg at 25°C

Drug Information

MeSH Entry Terms：

8-((1,4-benzodioxan-2-yl)methyl)-3-oxo-1-thia-4,8-diazaspiro(4,5)decane maleate

Computed Properties

Molecular Weight:436.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:436.13042228
Monoisotopic Mass:436.13042228
Topological Polar Surface Area:151
Heavy Atom Count:30
Complexity:545
Undefined Atom Stereocenter Count:1
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 8-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-1-thia-4,8-diazaspiro[ 4.5]decan-3-one (2E)-2-butenedioate (1:1)

Basic Attributes
Characteristics
Drug Information
Computed Properties

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