SMILES:
COCCOc1cc(C(=O)Nc2nc3c(OC)ccc(C4COCCO4)c3s2)ccn1Molecular Processing
Molecular formula
C21H23N3O6S
Molecular weight
445.5
Exact mass
445.1308
XLogP
3.07
TPSA
101.03
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
115.25
Supplementary Information
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