이름: 291a
SMILES:
CC(=O)OCc1c(-c2cc(Nc3cc(C)on3)c(=O)n(C)c2)ccnc1-n1ncc2c3c(sc2c1=O)CCCC3Molecular Processing
Molecular formula
C28H26N6O5S
Molecular weight
558.62
Exact mass
558.1685
XLogP
4.19
TPSA
134.14
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
6
Heavy atoms
40
Rings
6
Aromatic rings
5
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
150.32
Supplementary Information
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