Nombre: (4-chloro-5-[(2-methoxy-ethyl)-methyl-amino]-2-{3-[2-(3-methyl-isoxazol-5-yl)-pyridin-4-yl]-3-oxo-propionylamino}-phenyl)-carbamic acid tert.-butyl ester
SMILES:
COCCN(C)c1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2ccnc(-c3cc(C)no3)c2)cc1ClMolecular Processing
Molecular formula
C27H32ClN5O6
Molecular weight
558.04
Exact mass
557.2041
XLogP
5.34
TPSA
135.89
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
10
Heavy atoms
39
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.37
Molar refractivity
148.5
Supplementary Information
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