 Home > Encyclopedia > N-[(1R,2R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide

N-[(1R,2R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide

N-[(1R,2R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide structure

CAS No:
245329-79-7
Formula:
C32H54N2O4
Chemical Name:
N-[(1R,2R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide
Synonyms:
Hexadecanamide,N-[(1R,2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-hydroxy-1-(1-pyrrolidinylmethyl)ethyl];

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N-[(1R,2R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide Basic Attributes

Molecular Weight：

530.78200

Exact Mass：

530.40835821

DSSTox ID：

DTXSID30725118

Characteristics

PSA：

71.03000

XLogP3：

7.27200

Density：

1.04g/cm3

Boiling Point：

694.5ºC

Flash Point：

373.8ºC

Refractive Index：

1.52

Vapor Pressure：

3.01E-20mmHg at 25°C

Computed Properties

Molecular Weight:530.8
XLogP3:8.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:19
Exact Mass:530.40835821
Monoisotopic Mass:530.40835821
Topological Polar Surface Area:71
Heavy Atom Count:38
Complexity:612
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-[(1R,2R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide

Basic Attributes
Characteristics
Computed Properties

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