COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1C(=O)Nc1cccc2[nH]c(CN3CCN(C)CC3)nc12
SMILES: COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1C(=O)Nc1cccc2[nH]c(CN3CCN(C)CC3)nc12

Molecular Processing

Molecular formula
C41H54N8O5
Molecular weight
738.93
Exact mass
738.4217
XLogP
4.87
TPSA
126.58
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
14
Heavy atoms
54
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.463
Molar refractivity
211.77

Supplementary Information

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