CCOC(=O)c1noc([C@H](CCCC2CCCCC2)CC(=O)OC(C)(C)C)n1
名称: ethyl 5-{(1R)-1-[2-(tert-butoxy)-2-oxoethyl]-4-cyclohexylbutyl}-1,2,4-oxadiazole-3-carboxylate
SMILES: CCOC(=O)c1noc([C@H](CCCC2CCCCC2)CC(=O)OC(C)(C)C)n1

Molecular Processing

Molecular formula
C21H34N2O5
Molecular weight
394.51
Exact mass
394.2468
XLogP
4.81
TPSA
91.52
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
28
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.81
Molar refractivity
103.88

Supplementary Information

詳細情報を取得中…

49 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→