alpha-((4-Chlorophenoxy)methyl)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol

HCID 123676CAS 104358-25-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)C(O)(COc1ccc(Cl)cc1)Cn1cncn1
InChIKey: OCQPZTCGZAFWSG-UHFFFAOYSA-N
분자식: C15H20ClN3O2
평균 분자량: 309.79 g/mol
단동위원소 질량: 309.12440456

개요

Vibunazole is an aromatic ether.

이름 및 식별자

우선 이름: alpha-((4-Chlorophenoxy)methyl)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol
IUPAC: 1-(4-chlorophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol

이름 및 동의어

vibunazole80456-55-9Bay-n-7133LF5YFQ552KBAY N-7133Bay N71331-(4-chlorophenoxy)-3,3'-dimethyl-2-(1,2,4-triazol-1-yl)methyl-2-butanolRefChem:915454alpha-((4-Chlorophenoxy)methyl)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol279-475-3Bay N 7133Vibunazole, (+)-

이름 더 보기

Vibunazole, (-)-1-(4-chlorophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-olNR0G3W568CS72S9RVE68BAY-R-2302BAY-R-2303Bay-N-7133, (-)-104358-25-0

데이터베이스 식별자

CAS: 104358-25-0、104358-26-1、80456-55-9
PubChem CID: 123676
DTXSID: DTXSID201001251
ChEMBL: CHEMBL4757643
ChEBI: CHEBI:229861
UNII: LF5YFQ552K、NR0G3W568C、S72S9RVE68
EC Number: 279-475-3
Nikkaji: J21.733F

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 60.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 21
형식 전하: 0
복잡도: 329

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationSubstances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.