CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(C2CCC(OC(CC)C(=O)OCC)CC2)c2ncnn12
SMILES: CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(C2CCC(OC(CC)C(=O)OCC)CC2)c2ncnn12

Molecular Processing

Molecular formula
C34H39N5O4
Molecular weight
581.72
Exact mass
581.3002
XLogP
5.81
TPSA
111.51
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
43
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.441
Molar refractivity
163.73

Supplementary Information

詳細情報を取得中…

1 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→