SMILES:
Cc1cc2c(s1)CCN(C(=O)c1cc3ncc(Br)cn3n1)C2CMolecular Processing
Molecular formula
C16H15BrN4OS
Molecular weight
391.29
Exact mass
390.015
XLogP
3.62
TPSA
50.5
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
23
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
92.9
Supplementary Information
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