이름: ethyl 2-bromo-4-cyano-5-{[(1R)-1-methylpropyl]amino}benzoate
SMILES:
CCOC(=O)c1cc(N[C@H](C)CC)c(C#N)cc1BrMolecular Processing
Molecular formula
C14H17BrN2O2
Molecular weight
325.21
Exact mass
324.0473
XLogP
3.71
TPSA
62.12
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
78.19
Supplementary Information
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