SMILES:
CC(C)(C)OC(=O)N1CC=C(c2ccc(COc3ccc(S(C)(=O)=O)cc3)nn2)CC1Molecular Processing
Molecular formula
C22H27N3O5S
Molecular weight
445.54
Exact mass
445.1671
XLogP
3.48
TPSA
98.69
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
116.32
Supplementary Information
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