الاسم: 5-(2-isopropyl-4,5-dimethoxy-phenoxy)-N*2*-(tetrahydro-thiopyran-4-yl)-pyrimidine-2,4-diamine
SMILES:
COc1cc(Oc2cnc(NC3CCSCC3)nc2N)c(C(C)C)cc1OCMolecular Processing
Molecular formula
C20H28N4O3S
Molecular weight
404.54
Exact mass
404.1882
XLogP
4.3
TPSA
91.52
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
114.12
Supplementary Information
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