COc1ccc(N(C)C2CCOCC2)c2sc(NC(=O)c3ccnc(Br)c3)nc12
SMILES: COc1ccc(N(C)C2CCOCC2)c2sc(NC(=O)c3ccnc(Br)c3)nc12

Molecular Processing

Molecular formula
C20H21BrN4O3S
Molecular weight
477.38
Exact mass
476.0518
XLogP
4.33
TPSA
76.58
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
118.31

Supplementary Information

詳細情報を取得中…

2 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→