CCOC(=O)N1CCC(N2CCC2C(=O)N2C[C@H](S(=O)(=O)c3ccccc3Cl)C[C@H]2C(=O)NC2(C#N)CC2)CC1
SMILES: CCOC(=O)N1CCC(N2CCC2C(=O)N2C[C@H](S(=O)(=O)c3ccccc3Cl)C[C@H]2C(=O)NC2(C#N)CC2)CC1

Molecular Processing

Molecular formula
C27H34ClN5O6S
Molecular weight
592.12
Exact mass
591.1918
XLogP
1.95
TPSA
140.12
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
40
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.63
Molar refractivity
144.99

Supplementary Information

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