SMILES:
CC(C)CC(O)CN1CCCn2c1nc(-c1ccncc1)c(NCc1c(Cl)cccc1Cl)c2=OMolecular Processing
Molecular formula
C25H29Cl2N5O2
Molecular weight
502.45
Exact mass
501.1698
XLogP
4.84
TPSA
83.28
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
137.81
Supplementary Information
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