SMILES:
Cc1c(C(=O)NCCC2CCN(c3ccncc3)CC2)nn(-c2ccccn2)c1NC(=O)c1ccccc1ClMolecular Processing
Molecular formula
C29H30ClN7O2
Molecular weight
544.06
Exact mass
543.215
XLogP
4.91
TPSA
105.04
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
39
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.276
Molar refractivity
151.63
Supplementary Information
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