Sc1cc(Nc2nc(CCc3ccccc3)cs2)ncc1Br
Name: 5-bromo-2-(4-phenethylthiazol-2-ylamino)pyridine-4-thiol
SMILES: Sc1cc(Nc2nc(CCc3ccccc3)cs2)ncc1Br

Molecular Processing

Molecular formula
C16H14BrN3S2
Molecular weight
392.35
Exact mass
390.9813
XLogP
5.12
TPSA
37.81
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
98.44

Supplementary Information

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