الاسم: tert-butyl 4-[2-({2-[(6-amino-5-nitro(2-pyridyl))amino]ethyl}amino)-4-(2,4-dichlorophenyl)pyrimidin-5-yl]piperazinecarboxylate
SMILES:
CC(C)(C)OC(=O)N1CCN(c2cnc(NCCNc3ccc([N+](=O)[O-])c(N)n3)nc2-c2ccc(Cl)cc2Cl)CC1Molecular Processing
Molecular formula
C26H31Cl2N9O4
Molecular weight
604.5
Exact mass
603.1876
XLogP
4.92
TPSA
164.67
H-bond donors
3
H-bond acceptors
11
Rotatable bonds
8
Heavy atoms
41
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
159.79
Supplementary Information
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