O=C(N1CCN(c2ccccn2)CC1)N1CC(Oc2ccc(Cl)c(Cl)c2)C1
SMILES: O=C(N1CCN(c2ccccn2)CC1)N1CC(Oc2ccc(Cl)c(Cl)c2)C1

Molecular Processing

Molecular formula
C19H20Cl2N4O2
Molecular weight
407.3
Exact mass
406.0963
XLogP
3.39
TPSA
48.91
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
105.87

Supplementary Information

詳細情報を取得中…

4 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→