CS(=O)(=O)N1CCO[C@H](CNc2nc(-c3ccc(C4CCNCC4)cc3)cc3nccnc23)C1
名称: (R)—N-((4-(methylsulfonyl)morpholin-2-yl)methyl)-7-(4-(piperidin-4-yl)phenyl)pyrido[4,3-b]pyrazin-5-amine
SMILES: CS(=O)(=O)N1CCO[C@H](CNc2nc(-c3ccc(C4CCNCC4)cc3)cc3nccnc23)C1

Molecular Processing

Molecular formula
C24H30N6O3S
Molecular weight
482.61
Exact mass
482.21
XLogP
2.23
TPSA
109.34
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
132.26

Supplementary Information

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