基本情報
- 標準SMILES
CN(CC(=O)N1CCN(c2cccc(CS(=O)(=O)C=C3CN(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)C3)c2)CC1)C(=O)OC(C)(C)C- InChIKey
GOYMBGDVGKLYQR-UHFFFAOYSA-N- 分子式
- C36H42Cl2N4O5S
- 平均分子量
- 713.7 g/mol
名称と識別子
- 優先名称
- (2-{4-[3-({1-[bis-(4-chlorophenyl)methyl]azetidin-3-ylidene}methanesulfonylmethyl)phenyl]piperazin-1-yl}-2-oxoethyl)-N-methylcarbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[2-[4-[3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene]methylsulfonylmethyl]phenyl]piperazin-1-yl]-2-oxoethyl]-N-methylcarbamate
名称と別名
SCHEMBL6011571GOYMBGDVGKLYQR-UHFFFAOYSA-N(2-{4-[3-({1-[bis-(4-chlorophenyl)-methyl]azetidin-3-ylidene} methanesulfonylmethyl)phenyl]piperazin-1-yl}-2-oxoethyl)-N-methylcarbamic acid tert-butyl ester(2-{4-[3-({1-[bis-(4-chlorophenyl)methyl] azetidin-3-ylidene} methanesulfonylmethyl)phenyl]piperazin-1-yl}-2-oxoethyl)-N-methylcarbamic acid tert-butyl ester(2-{4-[3-({1-[bis-(4-chlorophenyl)methyl]azetidin-3-ylidene}methane-sulfonylmethyl)phenyl]piperazin-1-yl}-2-oxoethyl)-N-methylcarbamic acid tert-butyl ester(2-{4-[3-({1-[bis-(4-chlorophenyl)methyl]azetidin-3-ylidene}methanesulfonylmethyl)phenyl]piperazin-1-yl }-2-oxoethyl)-N-methylcarbamic acid tert-butyl ester(2-{4-[3-({1-[bis-(4-chlorophenyl)methyl]azetidin-3-ylidene}methanesulfonylmethyl)phenyl]piperazin-1-yl}-2-oxoethyl)-N-methylcarbamic acid tert-butyl ester
データベース識別子
- PubChem CID
- 69635644
物性
構造計算による物性
- XLogP
- 5.2
- 極性表面積
- 98.9 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 7
- 回転可能結合数
- 11
- 重原子数
- 48
- 形式電荷
- 0
- 複雑度
- 1,200
関連反応
5 件
化合物ノート
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