이름: tert-butyl (1E,4E)-8-bromo-4-((3-(tert-butyldimethylsilyloxy)propyl)(propyl)carbamoyl)-3H-benzo[b]azepin-2-ylcarbamate
SMILES:
CCCN(CCCO[Si](C)(C)C(C)(C)C)C(=O)C1=Cc2ccc(Br)cc2N=C(NC(=O)OC(C)(C)C)C1Molecular Processing
Molecular formula
C28H44BrN3O4Si
Molecular weight
594.67
Exact mass
593.2284
XLogP
7.44
TPSA
80.23
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
37
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.607
Molar refractivity
157.84
Supplementary Information
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