이름: 1-Iodo-3-[3-(4-methyl-piperazin-1-yl)-cyclobutyl]-imidazo[1,5-a]pyrazin-8-ylamine
SMILES:
CN1CCN(C2CC(c3nc(I)c4c(N)nccn34)C2)CC1Molecular Processing
Molecular formula
C15H21IN6
Molecular weight
412.28
Exact mass
412.0872
XLogP
1.41
TPSA
62.69
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
22
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
94.95
Supplementary Information
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