الاسم: (1-{4-[5-(4-Bromo-phenyl)-1H-imidazol-2-yl]-5,5-dimethyl-thiazolidine-3-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester
SMILES:
COC(=O)NC(C(=O)N1CSC(C)(C)C1c1ncc(-c2ccc(Br)cc2)[nH]1)C(C)CMolecular Processing
Molecular formula
C21H27BrN4O3S
Molecular weight
495.44
Exact mass
494.0987
XLogP
4.57
TPSA
87.32
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.476
Molar refractivity
122.01
Supplementary Information
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