CN(C(=O)CBr)c1ccc(OCC(=O)NC(CC(N)=O)C(=O)NC(Cc2ccccc2)C(O)C(=O)N2CCCC2C(=O)NC(C)(C)C)cc1
SMILES: CN(C(=O)CBr)c1ccc(OCC(=O)NC(CC(N)=O)C(=O)NC(Cc2ccccc2)C(O)C(=O)N2CCCC2C(=O)NC(C)(C)C)cc1

Molecular Processing

Molecular formula
C34H45BrN6O8
Molecular weight
745.67
Exact mass
744.2482
XLogP
0.78
TPSA
200.47
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
15
Heavy atoms
49
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
185.6

Supplementary Information

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