COC(=O)[C@H](Cc1ccc(-c2ccccc2Oc2ccccc2)cc1)NC(=O)c1cc(Br)ccc1NC(=O)CC(C)(C)CC(C)C
SMILES: COC(=O)[C@H](Cc1ccc(-c2ccccc2Oc2ccccc2)cc1)NC(=O)c1cc(Br)ccc1NC(=O)CC(C)(C)CC(C)C

Molecular Processing

Molecular formula
C38H41BrN2O5
Molecular weight
685.66
Exact mass
684.2199
XLogP
8.82
TPSA
93.73
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
13
Heavy atoms
46
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.289
Molar refractivity
185.99

Supplementary Information

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