SMILES:
CN(C)CCN(C)C(=O)CCC(Nc1ncnc2cc(C(=O)N3CCCC3)c(Cl)cc12)c1nc2cc(Cl)ccc2[nH]1Molecular Processing
Molecular formula
C29H34Cl2N8O2
Molecular weight
597.55
Exact mass
596.2182
XLogP
5
TPSA
110.35
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
41
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.414
Molar refractivity
162.58
Supplementary Information
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