이름: (RS)-[4-chloro-5-methyl-2-(3-{3-[2-methyl-6-(tetrahydro-pyran-2-yloxymethyl)-pyridin-4-yl]-phenyl}-3-oxo-propionylamino)-phenyl]-carbamic acid tert-butyl ester
SMILES:
Cc1cc(-c2cccc(C(=O)CC(=O)Nc3cc(Cl)c(C)cc3NC(=O)OC(C)(C)C)c2)cc(COC2CCCCO2)n1Molecular Processing
Molecular formula
C33H38ClN3O6
Molecular weight
608.13
Exact mass
607.2449
XLogP
7.62
TPSA
115.85
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
43
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.394
Molar refractivity
166.41
Supplementary Information
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