CC(C)(C)OC(=O)c1ccc(Br)cc1NC(=O)c1ccccc1
Name: tert-butyl 2-benzamido-4-bromobenzoate
SMILES: CC(C)(C)OC(=O)c1ccc(Br)cc1NC(=O)c1ccccc1

Molecular Processing

Molecular formula
C18H18BrNO3
Molecular weight
376.25
Exact mass
375.047
XLogP
4.66
TPSA
55.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
93.71

Supplementary Information

InChIKey: RFUWSTSPXIACGW-UHFFFAOYSA-N
Synonyme
SCHEMBL2272788RFUWSTSPXIACGW-UHFFFAOYSA-Ntert-butyl 2-(benzamido)-4-bromobenzoate
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