CN1CCN(C(=O)Cn2c(-c3ccccc3)c(C3CCCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc(/C=C/C(=O)O)cc5)CCCC4)cc32)CC1
SMILES: CN1CCN(C(=O)Cn2c(-c3ccccc3)c(C3CCCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc(/C=C/C(=O)O)cc5)CCCC4)cc32)CC1

Molecular Processing

Molecular formula
C43H49N5O5
Molecular weight
715.89
Exact mass
715.3734
XLogP
6.91
TPSA
123.98
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
53
Rings
7
Aromatic rings
4
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.395
Molar refractivity
207.68

Supplementary Information

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