Name: 2-Chloro-benzothiazole-4-carboxylic acid[(1S,2S,5R)-3-(2-methyl-5-m-tolyl-thiazole-4-carbonyl)-3-aza-bicyclo[3.1.0]hex-2-ylmethyl]-amide
SMILES:
Cc1cccc(-c2sc(C)nc2C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)c2cccc3sc(Cl)nc23)c1Molecular Processing
Molecular formula
C26H23ClN4O2S2
Molecular weight
523.08
Exact mass
522.0951
XLogP
5.58
TPSA
75.19
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
35
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
140.41
Supplementary Information
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