O=C(NCCCn1ccnc1)c1cccc(CS(=O)(=O)C=C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1
SMILES: O=C(NCCCn1ccnc1)c1cccc(CS(=O)(=O)C=C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1

Molecular Processing

Molecular formula
C31H30Cl2N4O3S
Molecular weight
609.58
Exact mass
608.1416
XLogP
5.91
TPSA
84.3
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
41
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.226
Molar refractivity
162.65

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→