이름: Intermediate 140
SMILES:
N#CC1CN(Cc2cccc(-c3ccnc(Cl)n3)c2)CCN1C(=O)OCc1ccccc1Molecular Processing
Molecular formula
C24H22ClN5O2
Molecular weight
447.93
Exact mass
447.1462
XLogP
4.14
TPSA
82.35
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
120.49
Supplementary Information
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