CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)c2ccc(N3CCN4CCC[C@H]4C3)cc2Cl)C1
SMILES: CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)c2ccc(N3CCN4CCC[C@H]4C3)cc2Cl)C1

Molecular Processing

Molecular formula
C22H32ClN3O4S
Molecular weight
470.04
Exact mass
469.1802
XLogP
3.41
TPSA
70.16
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
31
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.682
Molar refractivity
121.66

Supplementary Information

Details werden geladen…

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