名称: 17b
SMILES:
CC(=O)N(C[C@H]1CN(c2ccc(N3Cc4cn(C)nc4C3)c(F)c2)C(=O)O1)C(=O)OC(C)OP(=O)(OC(C)(C)C)OC(C)(C)CMolecular Processing
Molecular formula
C29H41FN5O9P
Molecular weight
653.65
Exact mass
653.2626
XLogP
5.49
TPSA
141.97
H-bond donors
0
H-bond acceptors
11
Rotatable bonds
9
Heavy atoms
45
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.586
Molar refractivity
160.81
Supplementary Information
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