 Home > Encyclopedia > 3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitro-3-N-(pyridin-2-ylmethyl)benzene-1,3-diamine

3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitro-3-N-(pyridin-2-ylmethyl)benzene-1,3-diamine

3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitro-3-N-(pyridin-2-ylmethyl)benzene-1,3-diamine structure

CAS No:
142761-43-1
Formula:
C22H26N6O5S
Chemical Name:
3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitro-3-N-(pyridin-2-ylmethyl)benzene-1,3-diamine

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3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitro-3-N-(pyridin-2-ylmethyl)benzene-1,3-diamine Basic Attributes

Molecular Weight：

486.54400

Exact Mass：

486.16853912

Characteristics

PSA：

175.47000

XLogP3：

5.70240

Density：

1.378g/cm3

Boiling Point：

661.2ºC

Flash Point：

353.7ºC

Refractive Index：

1.677

Vapor Pressure：

2.36E-17mmHg at 25°C

Computed Properties

Molecular Weight:486.5
XLogP3:4.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:11
Exact Mass:486.16853912
Monoisotopic Mass:486.16853912
Topological Polar Surface Area:170
Heavy Atom Count:34
Complexity:648
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitro-3-N-(pyridin-2-ylmethyl)benzene-1,3-diamine

Basic Attributes
Characteristics
Computed Properties

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