CCCN(CCC)c1c(SC)nn2c(-c3ccc(Cl)cc3Cl)cccc12
SMILES: CCCN(CCC)c1c(SC)nn2c(-c3ccc(Cl)cc3Cl)cccc12

Molecular Processing

Molecular formula
C20H23Cl2N3S
Molecular weight
408.4
Exact mass
407.099
XLogP
6.66
TPSA
20.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
115.22

Supplementary Information

詳細情報を取得中…

4 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→