3-(2-(R)-cyclopropylmethyl-5-(3,5-difluorophenyl)-3 (S)-hydroxyl-1-oxopentyl)amino-1-methyl-5-(pyridin-2-yl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one (HCID 9807077)

基本情報

標準SMILES: CN1C(=O)C(NC(=O)[C@H](CC2CC2)[C@@H](O)CCc2cc(F)cc(F)c2)N=C(c2ccccn2)c2ccccc21
InChIKey: WVDRKBHZFIDEJF-JNBDQXKTSA-N
分子式: C30H30F2N4O3
平均分子量: 532.6 g/mol

名称と識別子

優先名称: 3-(2-(R)-cyclopropylmethyl-5-(3,5-difluorophenyl)-3 (S)-hydroxyl-1-oxopentyl)amino-1-methyl-5-(pyridin-2-yl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one
IUPAC: (2R,3S)-2-(cyclopropylmethyl)-5-(3,5-difluorophenyl)-3-hydroxy-N-(1-methyl-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl)pentanamide

名称と別名

SCHEMBL4174977WVDRKBHZFIDEJF-JNBDQXKTSA-N3-(2-(R)-cyclopropylmethyl-5-(3,5-difluorophenyl)-3 (S)-hydroxyl-1-oxopentyl)amino-1-methyl-5-(pyridin-2-yl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one3-(2-(r)-cyclopropylmethyl-5-(3,5-difluorophenyl)-3(s)-hydroxyl-1-oxopentyl)amino-1-methyl-5-(pyridin-2-yl)-2,3-dihydro-1h-1,4-benzodiazepin-2-one

データベース識別子

PubChem CID: 9807077

物性

構造計算による物性

XLogP: 5.2
極性表面積: 94.9 Å²
水素結合供与体数: 2
水素結合受容体数: 7
回転可能結合数: 9
重原子数: 39
形式電荷: 0
複雑度: 889

化合物ノート

読み込み中…