基本情報
- 標準SMILES
C[C@]1(CN2CCN(C(=O)OCC=Cc3ccc(C(F)(F)F)cc3)CC2)Cn2cc([N+](=O)[O-])nc2O1- InChIKey
MGZFQOJHXCVYBP-NRFANRHFSA-N- 分子式
- C22H24F3N5O5
- 平均分子量
- 495.5 g/mol
名称と識別子
- 優先名称
- 3-(4-trifluoromethylphenyl)-2-propenyl (S)-4-(2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazol-2-ylmethyl)piperazine-1-carboxylate
- IUPAC
- 3-[4-(trifluoromethyl)phenyl]prop-2-enyl 4-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]piperazine-1-carboxylate
名称と別名
3-(4-trifluoromethylphenyl)-2-propenyl (S)-4-(2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazol-2-ylmethyl)piperazine-1-carboxylate3-(4-trifluoromethylphenyl)-2-propenyl (S)-4-(2-methyl-6-nitro-2,3-dihydroimidazo-[2,1-b]oxazol-2-ylmethyl)piperazin-1-carboxylate3-(4-trifluoromethylphenyl)-2-propenyl (S)-4-(2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazol-2-ylmethyl)piperazin-1-carboxylate3-(4-trifluoromethylphenyl)-2-propenyl (S)-4-[(2-methyl-6-nitro-2,3-dihydroimidazo-[2,1-b]oxazol-2-yl)methyl]piperazin-1-carboxylate3-(4-trifluoromethylphenyl)-2-propenyl(s)-4-(2-methyl-6-nitro-2,3-dihydroimidazo-[2,1-b]oxazol-2-ylmethyl)piperazin-1-carboxylate3-(4-trifluoromethylphenyl)-2-propenyl(s)-4-(2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazol-2-ylmethyl)piperazin-1-carboxylate3-(4-trifluoromethylphenyl)-2-propenyl(s)-4-(2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazol-2-ylmethyl)piperazine-1-carboxylate3-(4-trifluoromethylphenyl)-2-propenyl(s)-4-[(2-methyl-6-nitro-2,3-dihydroimidazo-[2,1-b]oxazol-2-yl)methyl]piperazin-1-carboxylate
データベース識別子
- PubChem CID
- 86604377
物性
構造計算による物性
- XLogP
- 3.2
- 極性表面積
- 106 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 10
- 回転可能結合数
- 6
- 重原子数
- 35
- 形式電荷
- 0
- 複雑度
- 793
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