CC(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)N1CCC(CC(C)(C)C#N)(c2ccccc2)OC1=O
SMILES: CC(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)N1CCC(CC(C)(C)C#N)(c2ccccc2)OC1=O

Molecular Processing

Molecular formula
C29H37BN2O4
Molecular weight
488.44
Exact mass
488.2846
XLogP
5.72
TPSA
71.79
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
36
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.517
Molar refractivity
140.51

Supplementary Information

詳細情報を取得中…

6 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→