SMILES:
COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(CN4CCC(O)CC4)cnc3Nc3ccc(OC)nc3)n2)cc1Molecular Processing
Molecular formula
C37H42N8O4
Molecular weight
662.8
Exact mass
662.3329
XLogP
5.57
TPSA
130.88
H-bond donors
2
H-bond acceptors
12
Rotatable bonds
13
Heavy atoms
49
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.324
Molar refractivity
188.26
Supplementary Information
Details werden geladen…
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