이름: 2-(6-(3-(1-acetyl-4-methylpiperidin-4-yl)-1,2,4-thiadiazol-5-ylamino)-5-(2-methylpyridin-3-yloxy)pyridin-3-ylthio)ethyl acetate
SMILES:
CC(=O)OCCSc1cnc(Nc2nc(C3(C)CCN(C(C)=O)CC3)ns2)c(Oc2cccnc2C)c1Molecular Processing
Molecular formula
C25H30N6O4S2
Molecular weight
542.69
Exact mass
542.177
XLogP
4.73
TPSA
119.43
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
9
Heavy atoms
37
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
142.67
Supplementary Information
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