Name: Intermediate 52
SMILES:
CC(C)(C)OC(=O)N1CCC(c2ccc3oc(Br)nc3c2)CC1Molecular Processing
Molecular formula
C17H21BrN2O3
Molecular weight
381.27
Exact mass
380.0736
XLogP
4.7
TPSA
55.57
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
91.49
Supplementary Information
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