CCOC(=O)C(=C(c1ccc(F)cc1)c1ccc(F)cc1)c1nnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1
名称: ethyl 3,3-bis(4-fluorophenyl)-2-[2-triphenylmethyl-2H-tetrazol-5-yl]-2-propenoate
SMILES: CCOC(=O)C(=C(c1ccc(F)cc1)c1ccc(F)cc1)c1nnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

Molecular Processing

Molecular formula
C37H28F2N4O2
Molecular weight
598.65
Exact mass
598.218
XLogP
7.31
TPSA
69.9
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
45
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.081
Molar refractivity
167.77

Supplementary Information

詳細情報を取得中…

9 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→