C[C@H]1CCCN1c1nnc2ccc(O[C@@H]3CC[C@H](NC(=O)Nc4cc(C(C)(C)C)nn4-c4ccc(Cl)c(OCCOC5CCCCO5)c4)c4ccccc43)cn12
名称: Intermediate 78c
SMILES: C[C@H]1CCCN1c1nnc2ccc(O[C@@H]3CC[C@H](NC(=O)Nc4cc(C(C)(C)C)nn4-c4ccc(Cl)c(OCCOC5CCCCO5)c4)c4ccccc43)cn12

Molecular Processing

Molecular formula
C42H51ClN8O5
Molecular weight
783.37
Exact mass
782.3671
XLogP
8.55
TPSA
129.3
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
11
Heavy atoms
56
Rings
8
Aromatic rings
5
Saturated rings
2
Aliphatic rings
3
Stereo centers
4
Undefined stereo
1
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.476
Molar refractivity
215.28

Supplementary Information

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