SMILES:
COc1ccc(CNc2nc(N3CCC[C@H]3CO)cnc2C(=O)NCC2CN(C)CCO2)cc1ClMolecular Processing
Molecular formula
C24H33ClN6O4
Molecular weight
505.02
Exact mass
504.2252
XLogP
1.77
TPSA
112.08
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
35
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.542
Molar refractivity
134.39
Supplementary Information
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