2175979-42-5 ((5-chloro-1-(cyclopropylmethyl)-3-methyl-1,2,3,4-tetrahydroquinazoline-2,4-dione)

CAS号:
2175979-42-5
英文名称:
5-chloro-1-(cyclopropylmethyl)-3-methyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
分子式:
C13H13ClN2O2
分子量:
264.707522153854

5-chloro-1-(cyclopropylmethyl)-3-methyl-1,2,3,4-tetrahydroquinazoline-2,4-dione(2175979-42-5)名称与标识符

名称

英文别名:
5-chloro-1-(cyclopropylmethyl)-3-methylquinazoline-2,4(1H,3H)-dione;5-chloro-1-(cyclopropylmethyl)-3-methylquinazoline-2,4-dione;5-chloro-1-(cyclopropylmethyl)-3-methyl-1,2,3,4-tetrahydroquinazoline-2,4-dione;

标识符

InChIKey:
CSXLUFRKLFSSGS-UHFFFAOYSA-N
Inchi:
1S/C13H13ClN2O2/c1-15-12(17)11-9(14)3-2-4-10(11)16(13(15)18)7-8-5-6-8/h2-4,8H,5-7H2,1H3
SMILES:
ClC1=CC=CC2=C1C(N(C)C(N2CC1CC1)=O)=O

5-chloro-1-(cyclopropylmethyl)-3-methyl-1,2,3,4-tetrahydroquinazoline-2,4-dione(2175979-42-5)物化性质

计算特性

  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 2
  • 重原子数量 : 18
  • 复杂度 : 383
  • 疏水参数计算参考值(XlogP) : 2.2
  • 拓扑分子极性表面积 : 40.6