N-[(3RS)-1-(3-azabicyclo[3.2.2]non-3-yl)carbonylmethyl-2,3-dihydro-5-(2-fluorophenyl)-2-oxo-1H-1,4-benzodiazepin-3-yl]-N'-(3-hydroxymethylphenyl)urea

HCID 19081130

基本情報

標準SMILES
O=C(Nc1cccc(CO)c1)NC1N=C(c2ccccc2F)c2ccccc2N(CC(=O)N2CC3CCC(CC3)C2)C1=O
InChIKey
XWGBGDFVJFKEBH-UHFFFAOYSA-N
分子式
C33H34FN5O4
平均分子量
583.7 g/mol

名称と識別子

優先名称
N-[(3RS)-1-(3-azabicyclo[3.2.2]non-3-yl)carbonylmethyl-2,3-dihydro-5-(2-fluorophenyl)-2-oxo-1H-1,4-benzodiazepin-3-yl]-N'-(3-hydroxymethylphenyl)urea
IUPAC
1-[1-[2-(3-azabicyclo[3.2.2]nonan-3-yl)-2-oxoethyl]-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-[3-(hydroxymethyl)phenyl]urea

名称と別名

SCHEMBL9054501XWGBGDFVJFKEBH-UHFFFAOYSA-NN-[(3RS)-1-(3-azabicyclo[3.2.2]non-3-yl)carbonylmethyl-2,3-dihydro-5-(2-fluorophenyl)-2-oxo-1H-1,4-benzodiazepin-3-yl]-N'- (3-hydroxymethylphenyl)ureaN-[(3RS)-1-(3-azabicyclo[3.2.2]non-3-yl)carbonylmethyl-2,3-dihydro-5-(2-fluorophenyl)-2-oxo-1H-1,4-benzodiazepin-3-yl]-N'-(3-hydroxymethylphenyl)urea

データベース識別子

PubChem CID
19081130

物性

構造計算による物性

XLogP
3.7
極性表面積
114 Ų
水素結合供与体数
3
水素結合受容体数
6
回転可能結合数
6
重原子数
43

関連反応

3 件

関連ノート

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