Name: 1-(4′-(cyclopropylmethyl)-2-(methylsulfinyl)-4,5′-bipyrimidin-2′-ylamino)-2-methylpropan-2-ol
SMILES:
CS(=O)c1nccc(-c2cnc(NCC(C)(C)O)nc2CC2CC2)n1Molecular Processing
Molecular formula
C17H23N5O2S
Molecular weight
361.47
Exact mass
361.1572
XLogP
1.81
TPSA
100.89
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
96.61
Supplementary Information
Details werden geladen…
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