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N-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl]-4-methyl-N-[(4-nitrophenyl)methyl]benzenesulfonamide

N-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl]-4-methyl-N-[(4-nitrophenyl)methyl]benzenesulfonamide structure

CAS No:
17415-81-5
Formula:
C22H25N5O5S
Chemical Name:
N-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl]-4-methyl-N-[(4-nitrophenyl)methyl]benzenesulfonamide
Synonyms:
N-[3-(2-amino-4-methyl-6-oxo-1,6-dihydro-pyrimidin-5-yl)-propyl]-N-(4-nitro-benzyl)-toluene-4-sulfonamide; 5-(3--propyl)-2-amino-4-hydroxy-6-methyl-pyrimidin;

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N-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl]-4-methyl-N-[(4-nitrophenyl)methyl]benzenesulfonamide Basic Attributes

Molecular Weight：

471.52900

Exact Mass：

471.15764009

NSC Number：

211199

DSSTox ID：

DTXSID70309133

Characteristics

PSA：

163.35000

XLogP3：

4.88600

Density：

1.39g/cm3

Boiling Point：

697ºC

Flash Point：

371.5ºC

Refractive Index：

1.653

Vapor Pressure：

6.29E-19mmHg at 25°C

Computed Properties

Molecular Weight:471.5
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:471.15764009
Monoisotopic Mass:471.15764009
Topological Polar Surface Area:159
Heavy Atom Count:33
Complexity:889
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl]-4-methyl-N-[(4-nitrophenyl)methyl]benzenesulfonamide

Basic Attributes
Characteristics
Computed Properties

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