COC(=O)NC(C(=O)N1C(C)CCC1C(=O)OCC(=O)c1ccc2c(c1)COc1cc3c(cc1-2)CCC(Br)C3=O)C(C)C
SMILES: COC(=O)NC(C(=O)N1C(C)CCC1C(=O)OCC(=O)c1ccc2c(c1)COc1cc3c(cc1-2)CCC(Br)C3=O)C(C)C

Molecular Processing

Molecular formula
C32H35BrN2O8
Molecular weight
655.54
Exact mass
654.1577
XLogP
4.62
TPSA
128.31
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
43
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.469
Molar refractivity
160.36

Supplementary Information

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