COc1ccccc1NCc1c(Br)ccc2c1N(C)C(=O)C(C)(C)N2
SMILES: COc1ccccc1NCc1c(Br)ccc2c1N(C)C(=O)C(C)(C)N2

Molecular Processing

Molecular formula
C19H22BrN3O2
Molecular weight
404.31
Exact mass
403.0895
XLogP
4.24
TPSA
53.6
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
105.57

Supplementary Information

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