이름: 2-(3-(6-cyclopropylpyrazin-2-yl)-1-tosyl-1H-indol-5-yl)-5-phenyl-1,3,4-thiadiazole
SMILES:
Cc1ccc(S(=O)(=O)n2cc(-c3cncc(C4CC4)n3)c3cc(-c4nnc(-c5ccccc5)s4)ccc32)cc1Molecular Processing
Molecular formula
C30H23N5O2S2
Molecular weight
549.68
Exact mass
549.1293
XLogP
6.71
TPSA
90.63
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
39
Rings
7
Aromatic rings
6
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
153.04
Supplementary Information
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