SMILES:
Cc1cc(Br)ccc1-n1c(CC2CCN(C(=O)C3CC3)C2)n[nH]c1=OMolecular Processing
Molecular formula
C18H21BrN4O2
Molecular weight
405.3
Exact mass
404.0848
XLogP
2.43
TPSA
70.99
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
25
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
97.74
Supplementary Information
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