名称: Intermediate 1
SMILES:
Cc1nnc(-c2ccc(Oc3cc(OC4CCN(C)C4=O)cc(C(=O)O)c3)cc2)o1Molecular Processing
Molecular formula
C21H19N3O6
Molecular weight
409.4
Exact mass
409.1274
XLogP
3.15
TPSA
114.99
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
104.62
Supplementary Information
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