COc1cc2c(cc1Nc1ncc(Cl)c(NC3CCCCC3NS(C)(=O)=O)n1)N(C)C(=O)CN(CC1CC1)C2
SMILES: COc1cc2c(cc1Nc1ncc(Cl)c(NC3CCCCC3NS(C)(=O)=O)n1)N(C)C(=O)CN(CC1CC1)C2

Molecular Processing

Molecular formula
C26H36ClN7O4S
Molecular weight
578.14
Exact mass
577.2238
XLogP
3.34
TPSA
128.79
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
39
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.577
Molar refractivity
152.38

Supplementary Information

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