COCCCn1ccc2ccc(CC(CC(NC(=O)OC(C)(C)C)C(O)CC(C(=O)NC3CC34CCOCC4)C(C)C)C(C)C)cc21
SMILES: COCCCn1ccc2ccc(CC(CC(NC(=O)OC(C)(C)C)C(O)CC(C(=O)NC3CC34CCOCC4)C(C)C)C(C)C)cc21

Molecular Processing

Molecular formula
C38H61N3O6
Molecular weight
655.92
Exact mass
655.456
XLogP
6.48
TPSA
111.05
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
16
Heavy atoms
47
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.737
Molar refractivity
186.22

Supplementary Information

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