CS(=O)(=O)Nc1ccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1.Cl
SMILES: CS(=O)(=O)Nc1ccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1.Cl

Molecular Processing

Molecular formula
C21H27ClN4O5S
Molecular weight
482.99
Exact mass
482.1391
XLogP
2.07
TPSA
114.71
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.286
Molar refractivity
125.59

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→