SMILES:
CC1CN(Cc2ccc(N(C)C(=O)c3ccc(Cl)nc3)cc2)CCN1C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C24H31ClN4O3
Molecular weight
458.99
Exact mass
458.2085
XLogP
4.45
TPSA
65.98
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
126.1
Supplementary Information
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