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3-bromo-N-[(3-methanesulfonylphenyl)methyl]-2-methylimidazo[1,2-a]pyrazin-8-amine

3-bromo-N-[(3-methanesulfonylphenyl)methyl]-2-methylimidazo[1,2-a]pyrazin-8-amine

CAS: 1436383-97-9

Formula: C15H15BrN4O2S

SMILES: CC1=C(Br)N2C=CN=C(NCC3=CC(=CC=C3)S(C)(=O)=O)C2=N1

IUPAC: 3-bromo-N-[(3-methanesulfonylphenyl)methyl]-2-methylimidazo[1,2-a]pyrazin-8-amine

InChI: InChI=1S/C15H15BrN4O2S/c1-10-13(16)20-7-6-17-14(15(20)19-10)18-9-11-4-3-5-12(8-11)23(2,21)22/h3-8H,9H2,1-2H3,(H,17,18)

Composition: C (45.58%), H (3.83%), Br (20.21%), N (14.17%), O (8.10%), S (8.11%)

Molar Mass: 395.28

Atom Count: 38

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 394.00991
Formal Charge 0
FSP3 0.2
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey LBULOYRAFWHTHY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 94.9
Topological Polar Surface Area 76.36
Polarizability 35.62
Ring Count 3
Rotatable Bond Count 4

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95% 1 Day 1436383-97-9 $353.81-$619.16$353.81$619.16
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