CC(=O)Nc1cccc(N(CCc2ccccc2)C(=O)Nc2ncc(SCC(=O)O)s2)c1
SMILES: CC(=O)Nc1cccc(N(CCc2ccccc2)C(=O)Nc2ncc(SCC(=O)O)s2)c1

Molecular Processing

Molecular formula
C22H22N4O4S2
Molecular weight
470.58
Exact mass
470.1082
XLogP
4.56
TPSA
111.63
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
127.73

Supplementary Information

詳細情報を取得中…

3 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→