CC(C)(C)OC(=O)N1CCN(c2cc(F)c([N+](=O)[O-])cc2F)CC1
名称: 4-(2,5-difluoro-4-nitro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester
SMILES: CC(C)(C)OC(=O)N1CCN(c2cc(F)c([N+](=O)[O-])cc2F)CC1

Molecular Processing

Molecular formula
C15H19F2N3O4
Molecular weight
343.33
Exact mass
343.1344
XLogP
2.93
TPSA
75.92
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
83.03

Supplementary Information

詳細情報を取得中…

3 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→