SMILES:
C[C@H](NC(=O)OCc1ccccc1)c1nc2ccn(C)c2cc1C1=CCN(C(=O)OC(C)(C)C)CC1Molecular Processing
Molecular formula
C28H34N4O4
Molecular weight
490.6
Exact mass
490.258
XLogP
5.58
TPSA
85.69
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.393
Molar refractivity
139.29
Supplementary Information
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