이름: Intermediate 136
SMILES:
C[C@H]1CN(C(=O)OCc2ccccc2)CC[C@H]1NCc1cccc(-c2ccnc(Cl)n2)c1Molecular Processing
Molecular formula
C25H27ClN4O2
Molecular weight
450.97
Exact mass
450.1823
XLogP
4.93
TPSA
67.35
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
125.09
Supplementary Information
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