Name: (RS)-[5-dimethylamino-4-methyl-2-(3oxo-3-{3-[5-(tetrahydro-pyran-2-yloxymethyl)-[1,2,3]triazol-1-yl]-phenyl}-propionyl-amino)-phenyl]-carbamic acid tert-butyl ester
SMILES:
Cc1cc(NC(=O)CC(=O)c2cccc(-n3nncc3COC3CCCCO3)c2)c(NC(=O)OC(C)(C)C)cc1N(C)CMolecular Processing
Molecular formula
C31H40N6O6
Molecular weight
592.7
Exact mass
592.3009
XLogP
5.24
TPSA
136.91
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
10
Heavy atoms
43
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.452
Molar refractivity
162.68
Supplementary Information
Details werden geladen…
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