SMILES:
CC(C)(C)OC(=O)NC1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)CCF)c23)C1Molecular Processing
Molecular formula
C20H27BrFN5O3
Molecular weight
484.37
Exact mass
483.1281
XLogP
4.12
TPSA
99.35
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.55
Molar refractivity
117.62
Supplementary Information
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