一键配货
简介
WAY-658675
基本信息
查看详细信息中文名称
-
英文名称
-
中文别名
-
英文别名
-
CAS号
545382-94-3
分子式
-
分子量
-
更新日期
2026-07-06
技术文档
「暂无技术文档」
相关文章
「暂无相关文章」
Structures
SMILES
C1CN(CCN1C2=NC=CC=N2)C(=O)CC3=CC=C(C=C3)Cl
2D Structure
https://labdr.oss-cn-shenzhen.aliyuncs.com/casimg/C5/545382-94-3.svg
3D Conformer
https://labdr.oss-cn-shenzhen.aliyuncs.com/mol3/5/545382-94-3.sdf
Title and Summary
Molecular Weight
316.78
Standard molecular formula
C16H17ClN4O
Names and Identifiers
IUPAC Name
2-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
Other Identifiers
CAS
545382-94-3
PubChem CID
5163593
Computed Descriptors
Descriptor.InChI
1S/C16H17ClN4O/c17-14-4-2-13(3-5-14)12-15(22)20-8-10-21(11-9-20)16-18-6-1-7-19-16/h1-7H,8-12H2
Descriptor.InChIKey
ONKTTXQXYKXKQV-UHFFFAOYSA-N
Chemical and Physical Properties
Computed Properties
Property Table.XLogP
2.2
Property Table.Complexity
359
Property Table.Exact Mass
316.1090889
Property Table.Formal Charge
0
Property Table.Heavy Atom Count
22
Property Table.Monoisotopic Mass
316.1090889
Property Table.Isotope Atom Count
0
Property Table.Rotatable Bond Count
3
Property Table.Hydrogen Bond Donor Count
0
Property Table.Covalently-Bonded Unit Count
1
Property Table.Hydrogen Bond Acceptor Count
4
Property Table.Topological Polar Surface Area
49.3
Property Table.Defined Atom Stereocenter Count
0
Property Table.Defined Bond Stereocenter Count
0
Property Table.Undefined Atom Stereocenter Count
0
Property Table.Undefined Bond Stereocenter Count
0
