trans-1-((2-(2-Benzofuranyl)-5-butyl-5-ethyl-1,3-dioxan-2-yl)methyl)-1H-1,2,4-triazole
기본 정보
- CAS
98519-37-0- 표준 SMILES
CCCCC1(CC)COC(Cn2cncn2)(c2cc3ccccc3o2)OC1- InChIKey
ZIBLQCIVFVPAHQ-UHFFFAOYSA-N- 분자식
- C21H27N3O3
- 평균 분자량
- 369.5 g/mol
- 단동위원소 질량
- 369.20524173
이름 및 식별자
- 우선 이름
- trans-1-((2-(2-Benzofuranyl)-5-butyl-5-ethyl-1,3-dioxan-2-yl)methyl)-1H-1,2,4-triazole
- IUPAC
- 1-[[2-(1-benzofuran-2-yl)-5-butyl-5-ethyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole
이름 및 동의어
98519-37-098532-84-4trans-1-((2-(2-Benzofuranyl)-5-butyl-5-ethyl-1,3-dioxan-2-yl)methyl)-1H-1,2,4-triazole1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-5-butyl-5-ethyl-1,3-dioxan-2-yl)methyl)-, cis-1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-5-butyl-5-ethyl-1,3-dioxan-2-yl)methyl)-, trans-cis-1-((2-(2-Benzofuranyl)-5-butyl-5-ethyl-1,3-dioxan-2-yl)methyl)-1H-1,2,4-triazolecis-2-(Benzofuran-2-yl)-2-(1H-1,2,4-triazolyl)-methyl-5-ethyl-5-butyl-1,3-dioxan [German]trans-2-(Benzofuran-2-yl)-2-((1H-1,2,4-triazolyl)-methyl)-5-ethyl-5-butyl-1,3-dioxanSCHEMBL11010075DTXSID30913194DTXSID501350716cis-2-(Benzofuran-2-yl)-2-(1H-1,2,4-triazolyl)-methyl-5-ethyl-5-butyl-1,3-dioxan
이름 더 보기
1-{[(2s,5s)-2-(1-Benzofuran-2-yl)-5-butyl-5-ethyl-1,3-dioxan-2-yl]methyl}-1H-1,2,4-triazole1-{[cis-2-(1-benzofuran-2-yl)-5-butyl-5-ethyl-1,3-dioxan-2-yl]methyl}-1H-1,2,4-triazole1-{[trans-2-(1-benzofuran-2-yl)-5-butyl-5-ethyl-1,3-dioxan-2-yl]methyl}-1H-1,2,4-triazole
데이터베이스 식별자
- CAS
98519-37-0、98532-84-4- PubChem CID
- 3062611
- DTXSID
DTXSID30913194
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 62.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 481
관련 반응
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