CC(C)(C)OC(=O)CC(NC(=O)C1CCCN2C(=O)CCC(NS(C)(=O)=O)C(=O)N12)C(O)c1ncc(-c2c(Cl)cccc2Cl)o1
Name: 218b
SMILES: CC(C)(C)OC(=O)CC(NC(=O)C1CCCN2C(=O)CCC(NS(C)(=O)=O)C(=O)N12)C(O)c1ncc(-c2c(Cl)cccc2Cl)o1

Molecular Processing

Molecular formula
C28H35Cl2N5O9S
Molecular weight
688.59
Exact mass
687.1533
XLogP
2.34
TPSA
188.45
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
9
Heavy atoms
45
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
17
Covalent units
1
Fraction Csp3
0.536
Molar refractivity
161.89

Supplementary Information

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