(3S)-3-methyl-6-[2-(4-{[6-(1H-tetrazol-1-yl)pyridin-3-yl]acetyl}piperazin-1-yl)ethyl]-3,4-dihydro-1H-isochromen-1-one 3-Methyl-6-[2-(4-{[6-(1H-tetrazol-1-yl)pyridin-3-yl] acetyl} piperazin-1-yl)ethyl]-3,4-dihydro-1H-isochromen-1-one
基本情報
- 標準SMILES
CC1Cc2cc(CCN3CCN(C(=O)Cc4ccc(-n5cnnn5)nc4)CC3)ccc2C(=O)O1.C[C@H]1Cc2cc(CCN3CCN(C(=O)Cc4ccc(-n5cnnn5)nc4)CC3)ccc2C(=O)O1- InChIKey
BSGCPNZXQHTNNB-LMOVPXPDSA-N- 分子式
- C48H54N14O6
- 平均分子量
- 923 g/mol
名称と識別子
- 優先名称
- (3S)-3-methyl-6-[2-(4-{[6-(1H-tetrazol-1-yl)pyridin-3-yl]acetyl}piperazin-1-yl)ethyl]-3,4-dihydro-1H-isochromen-1-one 3-Methyl-6-[2-(4-{[6-(1H-tetrazol-1-yl)pyridin-3-yl] acetyl} piperazin-1-yl)ethyl]-3,4-dihydro-1H-isochromen-1-one
- IUPAC
- (3S)-3-methyl-6-[2-[4-[2-[6-(tetrazol-1-yl)-3-pyridinyl]acetyl]piperazin-1-yl]ethyl]-3,4-dihydroisochromen-1-one;3-methyl-6-[2-[4-[2-[6-(tetrazol-1-yl)-3-pyridinyl]acetyl]piperazin-1-yl]ethyl]-3,4-dihydroisochromen-1-one
名称と別名
SCHEMBL15191976BSGCPNZXQHTNNB-LMOVPXPDSA-N(3S)-3-methyl-6-[2-(4-{[6-(1H-tetrazol-1-yl)pyridin-3-yl]acetyl}piperazin-1-yl)ethyl]-3,4-dihydro-1H-isochromen-1-one 3-Methyl-6-[2-(4-{[6-(1H-tetrazol-1-yl)pyridin-3-yl] acetyl} piperazin-1-yl)ethyl]-3,4-dihydro-1H-isochromen-1-one(3S)-3-methyl-6-[2-(4-{[6-(1H-tetrazol-1-yl)pyridin-3-yl]acetyl}piperazin-1-yl)ethyl]-3,4-dihydro-1H-isochromen-1-one 3-Methyl-6-[2-(4-{[6-(1H-tetrazol-1-yl)pyridin-3-yl]acetyl}piperazin-1-yl)ethyl]-3,4-dihydro-1H-isochromen-1-one
データベース識別子
- PubChem CID
- 86693044
物性
構造計算による物性
- 極性表面積
- 213 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 16
- 回転可能結合数
- 12
- 重原子数
- 68
- 形式電荷
- 0
- 複雑度
- 717
関連反応
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