이름: methyl 2-(5-bromo-2-(tert-butylcarbamoyl)-1H-indol-3-yl)acetate
SMILES:
COC(=O)Cc1c(C(=O)NC(C)(C)C)[nH]c2ccc(Br)cc12Molecular Processing
Molecular formula
C16H19BrN2O3
Molecular weight
367.24
Exact mass
366.0579
XLogP
3.17
TPSA
71.19
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
88.94
Supplementary Information
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