SMILES:
O=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCN(N2CCCNC2=O)CC1Molecular Processing
Molecular formula
C21H25ClN4O5S
Molecular weight
480.97
Exact mass
480.1234
XLogP
1.1
TPSA
110.26
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
119.89
Supplementary Information
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