CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2F)c(=O)n(C2CCC(OCC(=O)OCC)CC2)c2ccnn12
SMILES: CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2F)c(=O)n(C2CCC(OCC(=O)OCC)CC2)c2ccnn12

Molecular Processing

Molecular formula
C33H35FN4O4
Molecular weight
570.67
Exact mass
570.2642
XLogP
5.78
TPSA
98.62
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
42
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.394
Molar refractivity
156.68

Supplementary Information

詳細情報を取得中…

1 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→