名称: 1-[2-(4-Methylsulfanyl-phenylamino)-6-phenyl-pyrimidin-4-yl]-piperidin-4-ol
SMILES:
CSc1ccc(Nc2nc(-c3ccccc3)cc(N3CCC(O)CC3)n2)cc1Molecular Processing
Molecular formula
C22H24N4OS
Molecular weight
392.53
Exact mass
392.1671
XLogP
4.57
TPSA
61.28
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
116.43
Supplementary Information
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