((2R*,5R*)-6-{3-[(5-bromo-pyridine-2-carbonyl)-amino]-phenyl}-2,5-dimethyl-2-trifluoromethyl-5,6-dihydro-2H-[1,4]oxazin-3-yl)-carbamic acid tert-butyl ester (HCID 86716533)

基本情報

標準SMILES: C[C@H]1N=C(NC(=O)OC(C)(C)C)[C@](C)(C(F)(F)F)OC1c1cccc(NC(=O)c2ccc(Br)cn2)c1
InChIKey: RTZAZOLWZDNMMY-FQFZBXHGSA-N
分子式: C24H26BrF3N4O4
平均分子量: 571.4 g/mol

名称と識別子

優先名称: ((2R*,5R*)-6-{3-[(5-bromo-pyridine-2-carbonyl)-amino]-phenyl}-2,5-dimethyl-2-trifluoromethyl-5,6-dihydro-2H-[1,4]oxazin-3-yl)-carbamic acid tert-butyl ester
IUPAC: tert-butyl N-[(3R,6R)-2-[3-[(5-bromopyridine-2-carbonyl)amino]phenyl]-3,6-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-5-yl]carbamate

名称と別名

RTZAZOLWZDNMMY-FQFZBXHGSA-N((2R*,5R*)-6-{3-[(5-bromo-pyridine-2-carbonyl)-amino]-phenyl}-2,5-dimethyl-2-tri-fluoromethyl-5,6-dihydro-2H-[1,4]oxazin-3-yl)-carbamic acid tert-butyl ester((2R*,5R*)-6-{3-[(5-bromo-pyridine-2-carbonyl)-amino]-phenyl}-2,5-dimethyl-2-trifluoromethyl-5,6-dihydro-2H-[1,4]oxazin-3-yl)-carbamic acid tert-butyl ester

データベース識別子

PubChem CID: 86716533

物性

構造計算による物性

XLogP: 4.3
極性表面積: 102 Å²
水素結合供与体数: 2
水素結合受容体数: 9
回転可能結合数: 6
重原子数: 36
形式電荷: 0
複雑度: 850

化合物ノート

読み込み中…

((2R,5R)-6-{3-[(5-bromo-pyridine-2-carbonyl)-amino]-phenyl}-2,5-dimethyl-2-trifluoromethyl-5,6-dihydro-2H-[1,4]oxazin-3-yl)-carbamic acid tert-butyl ester