1009242-00-5 ((8-Methyl-4-(4-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid)

CAS号:
1009242-00-5
英文名称:
8-Methyl-4-(4-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
分子式:
C18H23NO4
分子量:
317.37952542305

8-Methyl-4-(4-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid(1009242-00-5)名称与标识符

名称

英文别名:
8-methyl-4-(4-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid;

标识符

MDL:
MFCD10456708
InChIKey:
HPVBEMRHMBKASY-UHFFFAOYSA-N
Inchi:
1S/C18H23NO4/c1-12-3-5-14(6-4-12)16(20)19-15(17(21)22)11-23-18(19)9-7-13(2)8-10-18/h3-6,13,15H,7-11H2,1-2H3,(H,21,22)
SMILES:
O1CC(C(=O)O)N(C(C2C=CC(C)=CC=2)=O)C21CCC(C)CC2

8-Methyl-4-(4-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid(1009242-00-5)物化性质

计算特性

  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 2
  • 重原子数量 : 23
  • 复杂度 : 462
  • 拓扑分子极性表面积 : 66.8