الاسم: (S)-tert-butyl 2-((4-(4-(4-(5-bromopyrimidin-2-yl)piperazin-1-yl)-1,3,5-triazin-2-ylamino)-1H-pyrazol-1-yl)methyl)morpholine-4-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCO[C@H](Cn2cc(Nc3ncnc(N4CCN(c5ncc(Br)cn5)CC4)n3)cn2)C1Molecular Processing
Molecular formula
C24H32BrN11O3
Molecular weight
602.5
Exact mass
601.1873
XLogP
2.33
TPSA
139.55
H-bond donors
1
H-bond acceptors
12
Rotatable bonds
6
Heavy atoms
39
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.542
Molar refractivity
147.04
Supplementary Information
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