HRID96205
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
作为生成物
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看条件与参与物HCID59314269
1,3-Dimethyl-5-[(5,6,7,8-tetrahydro-naphthalene-1-carbonyl)-amino]-5,6-dihydro-4H-cyclopenta[c]thiophene-5-carboxylic acid ethyl ester
ethyl 1,3-dimethyl-5-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-4,6-dihydrocyclopenta[c]thiophene-5-carboxylate
C23H27NO3S397.5 g/mol
IDENTITY
结构与身份
- 标准 SMILES
- CCOC(=O)C1(NC(=O)c2cccc3c2CCCC3)Cc2c(C)sc(C)c2C1
- InChIKey
- NJIAYWZTSNNAGJ-UHFFFAOYSA-N
- 分子式
- C23H27NO3S
- 平均分子量
- 397.5 g/mol
- 单同位素质量
- 397.1711649
COMPUTED
结构计算性质
- XLogP
- 5.2
- 极性表面积
- 83.6 Ų
- 氢键供体
- 1
- 氢键受体
- 4
- 可旋转键
- 5
- 重原子
- 28
- 形式电荷
- 0
- 复杂度
- 593
ALIASES
名称与别名
SCHEMBL3308196NJIAYWZTSNNAGJ-UHFFFAOYSA-N1,3-Dimethyl-5-[(5,6,7,8-tetrahydro-naphthalene-1-carbonyl)-amino]-5,6-dihydro-4H-cyclopenta[c]thiophene-5-carboxylic acid ethyl ester
REACTIONS
参与反应
HRID173866
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看条件与参与物HRID1047729
uspto-grants-2013_10
作为生成物
uspto-grants-2013_10 · 10.6084/m9.figshare.5104873.v1 · US08569535B2
查看条件与参与物HRID1047730
uspto-grants-2013_10
作为反应物
uspto-grants-2013_10 · 10.6084/m9.figshare.5104873.v1 · US08569535B2
查看条件与参与物