CCCCN1CCN(CC1)C2=C(C=C(C=C2)Br)C3CCC(CC3)(C)C
名称: 1-[4-bromo-2-(4,4-dimethylcyclohexyl)phenyl]-4-butylpiperazine
SMILES: CCCCN1CCN(CC1)C2=C(C=C(C=C2)Br)C3CCC(CC3)(C)C

Molecular Processing

Molecular formula
C22H35BrN2
Molecular weight
407.44
Exact mass
406.1984
XLogP
6.06
TPSA
6.48
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.727
Molar refractivity
112.69

Supplementary Information

InChIKey: KYIQFMRUCADIOQ-UHFFFAOYSA-N
同義語
SCHEMBL4251922KYIQFMRUCADIOQ-UHFFFAOYSA-N1-[4-bromo-2-(4,4-dimethylcyclohexyl)phenyl]-4-butylpiperazine
出典を見る →
9 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→