이름: ( 8g )
SMILES:
CCCC1(CCOc2ccnc(CS(=O)c3nc4ccccc4[nH]3)c2C)OCCCO1.[Na]Molecular Processing
Molecular formula
C23H29N3NaO4S
Molecular weight
466.56
Exact mass
466.1776
XLogP
3.9
TPSA
86.33
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.478
Molar refractivity
125.21
Supplementary Information
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