기본 정보
- 표준 SMILES
C[C@@H]1O[C@@]1(Cn1cncn1)c1cc(F)ccc1F- InChIKey
QYOWWJNQQPRWCO-QPUJVOFHSA-N- 분자식
- C12H11F2N3O
- 평균 분자량
- 251.23 g/mol
이름 및 식별자
- 우선 이름
- 1-(((2R,3S)-2-(2,5-difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole
- IUPAC
- 1-[[(2R,3S)-2-(2,5-difluorophenyl)-3-methyloxiran-2-yl]methyl]-1,2,4-triazole
이름 및 동의어
241479-73-21-(((2R,3S)-2-(2,5-difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazoleEfinaconazole Impurity DMFCD30343823(2R,3S)-2-(2,5-Difluorophenyl)-3-methyl-2-[(1H-1,2,4-triazol-1-yl)-methyl]-oxirane1-[[(2R,3S)-2-(2,5-difluorophenyl)-3-methyloxiran-2-yl]methyl]-1,2,4-triazole1-[[(2R,3S)-2-(2,5-Difluorophenyl)-3-methyloxiranyl]methyl]-1H-1,2,4-triazole1-{[(2R,3S)-2-(2,5-difluorophenyl)-3-methyloxiran-2-yl]methyl}-1H-1,2,4-triazole1-[[(2R,3S)-2-(2,5-Difluorophenyl)-3-methyloxiran-2-yl]methyl]-1H-1,2,4-triazoleIsavuconazole Impurity 195SCHEMBL1828222SCHEMBL29565751
이름 더 보기
QYOWWJNQQPRWCO-QPUJVOFHSA-N(2r,3s)-2-(2,5-difluorophenyl)-3-methyl-((1h-1,2,4-triazol-1-yl)methyl)oxirane1-[[(2R,3S)-2-(2,5-difluorophenyl)-3-methyl-oxiran-2-yl]methyl]-1,2,4-triazoleAC-37399BS-51355SY284611F870059A1-03608
데이터베이스 식별자
- PubChem CID
- 10131192
- Nikkaji
- J2.402.099A
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 43.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 320
관련 반응
3건
화합물 노트
불러오는 중…