COc1ccc(CNc2ncnc3c2ccn3C2CC(CN(C)C3CC(CCC(=O)Nc4ccc(C(C)(C)C)cc4N)C3)C3OC(C)(C)OC32)c(OC)c1
SMILES: COc1ccc(CNc2ncnc3c2ccn3C2CC(CN(C)C3CC(CCC(=O)Nc4ccc(C(C)(C)C)cc4N)C3)C3OC(C)(C)OC32)c(OC)c1

Molecular Processing

Molecular formula
C42H57N7O5
Molecular weight
739.96
Exact mass
739.4421
XLogP
7.15
TPSA
138.02
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
13
Heavy atoms
54
Rings
7
Aromatic rings
4
Saturated rings
3
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.548
Molar refractivity
211.93

Supplementary Information

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