이름: (6aR,9aS)-5,6a,7,8,9,9a-hexahydro-5-methyl-3-(methylthio)-2-(4-(6-fluoropyridin-2-yl)benzyl)-cyclopent[4,5]imidazo[1,2-a]pyrazolo[4,3-e]pyrimidin-4(2H)-one
SMILES:
CSc1c2c(nn1Cc1ccc(-c3cccc(F)n3)cc1)N1C(=N[C@@H]3CCC[C@@H]31)N(C)C2=OMolecular Processing
Molecular formula
C24H23FN6OS
Molecular weight
462.55
Exact mass
462.1638
XLogP
4.04
TPSA
66.62
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
33
Rings
6
Aromatic rings
3
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
126.18
Supplementary Information
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