CC1CCC(N(C(=O)C2CCCO2)C2CC(C(=O)N3CCN(C)CC3)N(C(=O)C3CN(C(=O)OC(C)(C)C)CC3c3ccc(Cl)cc3)C2)CC1
SMILES: CC1CCC(N(C(=O)C2CCCO2)C2CC(C(=O)N3CCN(C)CC3)N(C(=O)C3CN(C(=O)OC(C)(C)C)CC3c3ccc(Cl)cc3)C2)CC1

Molecular Processing

Molecular formula
C38H56ClN5O6
Molecular weight
714.35
Exact mass
713.3919
XLogP
4.62
TPSA
102.94
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
50
Rings
6
Aromatic rings
1
Saturated rings
5
Aliphatic rings
5
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.737
Molar refractivity
190.71

Supplementary Information

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