Cc1cc(C2CC2)cnc1N1CCN(C(=O)c2ccc(N3CC(C)(C)OC3=O)cc2N2CCCS2(=O)=O)CC1
SMILES: Cc1cc(C2CC2)cnc1N1CCN(C(=O)c2ccc(N3CC(C)(C)OC3=O)cc2N2CCCS2(=O)=O)CC1

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
5
Heavy atoms
39
Rings
6
Aromatic rings
2
Saturated rings
4
Aliphatic rings
4
Stereo centers
0
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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