SMILES:
CC(=O)OCc1c(-c2cc(Nc3ccc(OC4CN(C)C4)cn3)c(=O)n(C)c2)ccnc1N1CCn2c(cc3c2CC(C)(C)C3)C1=OMolecular Processing
Molecular formula
C35H39N7O5
Molecular weight
637.74
Exact mass
637.3013
XLogP
3.93
TPSA
123.82
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
47
Rings
7
Aromatic rings
4
Saturated rings
1
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
177.11
Supplementary Information
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