Name: α-cyano-3-phenoxybenzyl (1R,cis)-2,2-dimethyl-3-(2-(cyclobutylmethoxyimino)propyl)cyclopropanecarboxylate
SMILES:
CC(C[C@H]1[C@@H](C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)=NOCC1CCC1Molecular Processing
Molecular formula
C28H32N2O4
Molecular weight
460.57
Exact mass
460.2362
XLogP
6.44
TPSA
80.91
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
34
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.464
Molar refractivity
129.18
Supplementary Information
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