C[C@@H](C(=O)N1CCCCC1)N1CC[C@H](N(C)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
SMILES: C[C@@H](C(=O)N1CCCCC1)N1CC[C@H](N(C)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O

Molecular Processing

Molecular formula
C23H28ClN3O4S
Molecular weight
478.01
Exact mass
477.1489
XLogP
3.12
TPSA
78
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.478
Molar refractivity
123.92

Supplementary Information

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