CS(=O)(=O)c1ccccc1OC1CCN(c2ccnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4C(F)(F)F)cc23)CC1
SMILES: CS(=O)(=O)c1ccccc1OC1CCN(c2ccnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4C(F)(F)F)cc23)CC1

Molecular Processing

Molecular formula
C44H37F3N4O3S
Molecular weight
758.87
Exact mass
758.2538
XLogP
9.41
TPSA
77.32
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
55
Rings
8
Aromatic rings
7
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
207.99

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→