CC[C@@H]1COC(=O)N1c1ccc(C(=O)N2CCN(c3ncc(C4CC4)cc3C)CC2)c(N2CCCS2(=O)=O)c1
SMILES: CC[C@@H]1COC(=O)N1c1ccc(C(=O)N2CCN(c3ncc(C4CC4)cc3C)CC2)c(N2CCCS2(=O)=O)c1

Molecular Processing

Molecular formula
C28H35N5O5S
Molecular weight
553.69
Exact mass
553.2359
XLogP
3.5
TPSA
103.36
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
39
Rings
6
Aromatic rings
2
Saturated rings
4
Aliphatic rings
4
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.536
Molar refractivity
149.16

Supplementary Information

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