الاسم: ethyl 3-(4-(5-(3-cyano-4-isopropylthiophenyl)-1,3,4-thiadiazol-3-yl)-3-methylphenyl)propanoate
SMILES:
CCOC(=O)CCc1ccc(N2CSC(c3ccc(SC(C)C)c(C#N)c3)=N2)c(C)c1Molecular Processing
Molecular formula
C24H27N3O2S2
Molecular weight
453.63
Exact mass
453.1545
XLogP
5.74
TPSA
65.69
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
129.76
Supplementary Information
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