Name: 1-(thiazin-2-yl)-2-amino-6-(α-hydroxy-α-aminocarbonylmethylbenzyl)benzimidazole hydrochloride
SMILES:
Cl.NC(=O)CC(O)(c1ccccc1)c1ccc2nc(N)n(N3C=CC=CS3)c2c1Molecular Processing
Molecular formula
C20H20ClN5O2S
Molecular weight
429.93
Exact mass
429.1026
XLogP
2.78
TPSA
110.4
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.1
Molar refractivity
118.73
Supplementary Information
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