CC(C)N1CCN(c2ccc(N)c3c2CN(C)C3=O)CC1
名称: 7-amino-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)-3H-isoindol-1-one
SMILES: CC(C)N1CCN(c2ccc(N)c3c2CN(C)C3=O)CC1

Molecular Processing

Molecular formula
C16H24N4O
Molecular weight
288.4
Exact mass
288.195
XLogP
1.38
TPSA
52.81
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
85.57

Supplementary Information

詳細情報を取得中…

9 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→