SMILES:
CC(C)(C)c1nc2cc(S(=O)(=O)N3CCC(C(=O)O)C3)ccc2n1CC1CCOCC1Molecular Processing
Molecular formula
C22H31N3O5S
Molecular weight
449.57
Exact mass
449.1984
XLogP
2.86
TPSA
101.73
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
116.48
Supplementary Information
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