Cc1ccc2c(N3CC[C@@H](NC(=O)OCC(C)C)C3)nc(-c3ccccc3O)nc2c1.O=S(=O)(O)O
SMILES: Cc1ccc2c(N3CC[C@@H](NC(=O)OCC(C)C)C3)nc(-c3ccccc3O)nc2c1.O=S(=O)(O)O

Molecular Processing

Molecular formula
C24H30N4O7S
Molecular weight
518.59
Exact mass
518.1835
XLogP
3.62
TPSA
162.18
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
2
Fraction Csp3
0.375
Molar refractivity
135.49

Supplementary Information

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