Name: 7-(benzyloxy)-N-[2-(tritylthio)ethyl]-1H-indole-2-carboxamide
SMILES:
O=C(NCCSC(c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2cccc(OCc3ccccc3)c2[nH]1Molecular Processing
Molecular formula
C37H32N2O2S
Molecular weight
568.74
Exact mass
568.2184
XLogP
8.2
TPSA
54.12
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
11
Heavy atoms
42
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.108
Molar refractivity
173.07
Supplementary Information
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