SMILES:
COc1cc(C(=O)N2CCC(CCN3CCCN(c4nc5ccccc5[nH]4)CC3)(c3ccccc3)C2)cc(OC)c1OCMolecular Processing
Molecular formula
C34H41N5O4
Molecular weight
583.73
Exact mass
583.3159
XLogP
4.98
TPSA
83.16
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
43
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
168.72
Supplementary Information
Obteniendo detalles…
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