Cc1ccccc1S(=O)(=O)OC1C2C(C(=O)N1Cc1ccc3c(c1)OCO3)C(c1ccc(Br)cc1)N(C)C2(C)C
SMILES: Cc1ccccc1S(=O)(=O)OC1C2C(C(=O)N1Cc1ccc3c(c1)OCO3)C(c1ccc(Br)cc1)N(C)C2(C)C

Molecular Processing

Molecular formula
C30H31BrN2O6S
Molecular weight
627.56
Exact mass
626.1086
XLogP
5.26
TPSA
85.38
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
40
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.367
Molar refractivity
152.06

Supplementary Information

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