COC1=CC(=CC(=C1OC)OC)C(=O)N2CCCC(C2)(CCN3CCC(CC3)NC4=NC5=CC=CC=C5N4CC6=CC=C(C=C6)F)C7=CC(=C(C=C7)Cl)Cl
名称: [3-(3,4-dichlorophenyl)-3-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)N2CCCC(C2)(CCN3CCC(CC3)NC4=NC5=CC=CC=C5N4CC6=CC=C(C=C6)F)C7=CC(=C(C=C7)Cl)Cl

Molecular Processing

Molecular formula
C42H46Cl2FN5O4
Molecular weight
774.77
Exact mass
773.2911
XLogP
8.7
TPSA
81.09
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
54
Rings
7
Aromatic rings
5
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
212.31

Supplementary Information

InChIKey: BOZNEAOLNMQQCZ-UHFFFAOYSA-N
同義語
SCHEMBL6992161BOZNEAOLNMQQCZ-UHFFFAOYSA-N1-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(4-fluorobenzyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(3,4-dichlorophenyl)piperidine
出典を見る →
4 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→