Name: ethyl 5-((tert-butoxycarbonyl(2-methyl-6-(((1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl)methoxy)pyrimidin-4-yl)amino)methyl)-1,3,4-thiadiazole-2-carboxylate
SMILES:
CCOC(=O)c1nnc(CN(C(=O)OC(C)(C)C)c2cc(OC[C@H]3C[C@@H]3c3ccc(C)cn3)nc(C)n2)s1Molecular Processing
Molecular formula
C26H32N6O5S
Molecular weight
540.65
Exact mass
540.2155
XLogP
4.64
TPSA
129.52
H-bond donors
0
H-bond acceptors
11
Rotatable bonds
9
Heavy atoms
38
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
140.37
Supplementary Information
Details werden geladen…
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