الاسم: ( 4j )
SMILES:
CCC1(CCOc2ccnc(CS(=O)c3nc4ccccc4[nH]3)c2C)OCC2(CO1)OCCO2.[Na]Molecular Processing
Molecular formula
C24H29N3NaO6S
Molecular weight
510.57
Exact mass
510.1675
XLogP
2.86
TPSA
104.79
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.5
Molar refractivity
130.61
Supplementary Information
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