COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2OCc2ccc3c(c2)N(CC#N)CCC3)cc1
SMILES: COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2OCc2ccc3c(c2)N(CC#N)CCC3)cc1

Molecular Processing

Molecular formula
C39H49N3O6
Molecular weight
655.84
Exact mass
655.3621
XLogP
7.27
TPSA
93.49
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
13
Heavy atoms
48
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.487
Molar refractivity
185.53

Supplementary Information

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