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3-[4-[4-(dimethylcarbamoylamino)phenyl]sulfonylphenyl]-1,1-dimethyl-urea 3-[4-[4-(dimethylcarbamoylamino)phenyl]sulfonylphenyl]-1,1-dimethyl-urea 53961-71-0
【Name】
3-[4-[4-(dimethylcarbamoylamino)phenyl]sulfonylphenyl]-1,1-dimethyl-urea
【CAS Registry number】
53961-71-0
【Synonyms】
NSC508661
AC1L6VST
NSC-508661
3-[4-[4-(dimethylcarbamoylamino)phenyl]sulfonylphenyl]-1,1-dimethylurea
53961-71-0
【Molecular Formula】
C18H22N4O4S (Products with the same molecular formula)
【Molecular Weight】
390.45668
Chemical and Physical Properties
【Density】
1.339g/cm3
【Boiling Point】
679.5°Cat760mmHg
【Flash Point】
364.8°C
【Computed Properties】
Molecular Weight:390.45668 [g/mol]
Molecular Formula:C18H22N4O4S
XLogP3-AA:1.1
H-Bond Donor:2
H-Bond Acceptor:4
Rotatable Bond Count:4
Tautomer Count:3
Exact Mass:390.136176
MonoIsotopic Mass:390.136176
Topological Polar Surface Area:107
Heavy Atom Count:27
Formal Charge:0
Complexity:566
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:4
Feature 3D Donor Count:2
Feature 3D Ring Count:2
Effective Rotor Count:8
Conformer Sampling RMSD:1
CID Conformer Count:7
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