名称: ethyl 3-[4-(2-azidoethoxy)phenyl]-2-(4-isopropylphenoxy)propionate
SMILES:
CCOC(=O)C(Cc1ccc(OCCN=[N+]=[N-])cc1)Oc1ccc(C(C)C)cc1Molecular Processing
Molecular formula
C22H27N3O4
Molecular weight
397.48
Exact mass
397.2002
XLogP
5.05
TPSA
93.52
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
29
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
111.23
Supplementary Information
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