Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCC(SCCCN(C)C)=Nc4ccccc43)cc2)cc1
SMILES: Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCC(SCCCN(C)C)=Nc4ccccc43)cc2)cc1

Molecular Processing

Molecular formula
C35H36N4O2S
Molecular weight
576.77
Exact mass
576.2559
XLogP
7.68
TPSA
65.01
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
42
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.229
Molar refractivity
176.47

Supplementary Information

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