COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(Br)cc2)[nH]1)C(C)C
SMILES: COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(Br)cc2)[nH]1)C(C)C

Molecular Processing

Molecular formula
C20H25BrN4O3
Molecular weight
449.35
Exact mass
448.111
XLogP
3.88
TPSA
87.32
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
109.58

Supplementary Information

詳細情報を取得中…

122 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→