SMILES:
CCOC(=O)C1CCN(c2ccc(Nc3nc(Nc4ccc5c(c4)C(C)(C)CCC(=O)N5)ncc3Cl)c(-n3cccn3)c2)CC1Molecular Processing
Molecular formula
C33H37ClN8O3
Molecular weight
629.17
Exact mass
628.2677
XLogP
6.59
TPSA
126.3
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
45
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
176.07
Supplementary Information
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