SMILES:
CCC1(CCOc2ccnc(CSc3nc4ccccc4[nH]3)c2C)OCC2(CO1)OCCO2Molecular Processing
Molecular formula
C24H29N3O5S
Molecular weight
471.58
Exact mass
471.1828
XLogP
4.22
TPSA
87.72
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
124.3
Supplementary Information
Details werden geladen…
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