Name: methyl 2-bromo-1-{2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}-3-cyclohexyl1H-indole-6-carboxylate
SMILES:
COC(=O)c1ccc2c(C3CCCCC3)c(Br)n(CC(NC(=O)OC(C)(C)C)C(=O)OC)c2c1Molecular Processing
Molecular formula
C25H33BrN2O6
Molecular weight
537.45
Exact mass
536.1522
XLogP
5.3
TPSA
95.86
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
34
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.56
Molar refractivity
131.98
Supplementary Information
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Involved in 1 reactions→