الاسم: 2-[(2-cyanoethyl)[2-(1H-imidazol-1-yl)-6-methyl-4-pyrimidinyl]amino]acetic acid, ethyl ester
SMILES:
CCOC(=O)CN(CCC#N)c1cc(C)nc(-n2ccnc2)n1Molecular Processing
Molecular formula
C15H18N6O2
Molecular weight
314.35
Exact mass
314.1491
XLogP
1.25
TPSA
96.93
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
82.97
Supplementary Information
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