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Chemical Product CAS:7066-05-9N-(3,5-dimethylphenyl)-5-[(4-methylpiperazin-1-yl)sulfonyl]pyridin-2-amine

CAS:7066-05-9
N-(3,5-dimethylphenyl)-5-[(4-methylpiperazin-1-yl)sulfonyl]pyridin-2-amine

  • CAS No:

    7066-05-9
  • Name:

    N-(3,5-dimethylphenyl)-5-[(4-methylpiperazin-1-yl)sulfonyl]pyridin-2-amine
  • Molecular Formula:

    C18H24N4O2S
  • Molecular Weight:

    360.4738
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N-(3,5-dimethylphenyl)-5-[(4-methylpiperazin- ( CASNO:7066-05-9 )

Identification and Related Records
Name:
N-(3,5-dimethylphenyl)-5-[(4-methylpiperazin-1-yl)sulfonyl]pyridin-2-amine
CAS Registry number:
7066-05-9
Iupac name:
N-(3,5-dimethylphenyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
Synonyms:
2-pyridinamine, N-(3,5-dimethylphenyl)-5-[(4-methyl-1-piperazinyl)sulfonyl]-
N-(3,5-Dimethylphenyl)-5-[(4-methylpiperazin-1-yl)sulfonyl]pyridin-2-amine
Molecular Formula:
C18H24N4O2S
Molecular Weight:
360.4738
Inchi:
InChI=1/C18H24N4O2S/c1-14-10-15(2)12-16(11-14)20-18-5-4-17(13-19-18)25(23,24)22-8-6-21(3)7-9-22/h4-5,10-13H,6-9H2,1-3H3,(H,19,20)
Canonical SMILES:
CC1=CC(=CC(=C1)NC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C)C
Chemical and Physical Properties
Density:
1.253g/cm3
Boiling Point:
512.7°C at 760 mmHg
Refractive Index:
1.61
Flash Point:
263.9°C
Computed Properties:
Molecular Weight:360.47376 [g/mol]
Molecular Formula:C18H24N4O2S
XLogP3-AA:2.4
H-Bond Donor:1
H-Bond Acceptor:5
Rotatable Bond Count:4
Tautomer Count:2
Exact Mass:360.161997
MonoIsotopic Mass:360.161997
Topological Polar Surface Area:73.9
Heavy Atom Count:25
Formal Charge:0
Complexity:518
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:2
Feature 3D Donor Count:1
Feature 3D Cation Count:2
Feature 3D Ring Count:3
Effective Rotor Count:5.2
Conformer Sampling RMSD:0.8
CID Conformer Count:93
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