Name: 3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-thiophene-2-carboxylic acid methyl ester
SMILES:
COC(=O)c1sccc1Nc1ncnc2[nH]ccc12Molecular Processing
Molecular formula
C12H10N4O2S
Molecular weight
274.31
Exact mass
274.0524
XLogP
2.55
TPSA
79.9
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
19
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
72.83
Supplementary Information
Details werden geladen…
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