الاسم: Methyl N-cyano-4-(cyanomethyl)-4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-piperidine-1-carbimidothioate
SMILES:
CSC(=NC#N)N1CCC(CC#N)(n2cc(-c3ncnc4[nH]ccc34)cn2)CC1Molecular Processing
Molecular formula
C19H19N9S
Molecular weight
405.49
Exact mass
405.1484
XLogP
2.73
TPSA
122.57
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
110.68
Supplementary Information
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