O=C(NCc1ccc(Cl)c(-n2nc(-c3ccc(C#Cc4ccc(C(F)(F)F)cc4Cl)cc3F)[nH]c2=O)c1)C1CC1
名称: title compound
SMILES: O=C(NCc1ccc(Cl)c(-n2nc(-c3ccc(C#Cc4ccc(C(F)(F)F)cc4Cl)cc3F)[nH]c2=O)c1)C1CC1

Molecular Processing

Molecular formula
C28H18Cl2F4N4O2
Molecular weight
589.38
Exact mass
588.0743
XLogP
6.12
TPSA
79.78
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
40
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.179
Molar refractivity
141.59

Supplementary Information

詳細情報を取得中…

2 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→