Name: tert-Butyl(1-(3,4-dichlorophenyl)-3,4-dihydroxy-1-{[methyl-(3,3,3-trifluoro-propionyl)-amino]-methyl}-butyl)-methyl-carbamate
SMILES:
CN(CC(CC(O)CO)(c1ccc(Cl)c(Cl)c1)N(C)C(=O)OC(C)(C)C)C(=O)CC(F)(F)FMolecular Processing
Molecular formula
C21H29Cl2F3N2O5
Molecular weight
517.37
Exact mass
516.1406
XLogP
4.21
TPSA
90.31
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
33
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
118.16
Supplementary Information
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