이름: ethyl 4-{7-[5-(3-chloro-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl}-4-oxobutanoate
SMILES:
CCOC(=O)CCC(=O)c1c[nH]c2c(-c3noc(-c4ccc(OC(C)C)c(Cl)c4)n3)cccc12Molecular Processing
Molecular formula
C25H24ClN3O5
Molecular weight
481.94
Exact mass
481.1404
XLogP
5.85
TPSA
107.31
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
34
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
128
Supplementary Information
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