기본 정보
- CAS
194798-94-2- 표준 SMILES
OC(Cn1cncn1)(Cn1cnc(/C=C/c2ccc(OCC(F)(F)C(F)F)cc2)n1)c1ccc(F)cc1F- InChIKey
FZEJTXCSLUORDW-FPYGCLRLSA-N- 분자식
- C24H20F6N6O2
- 평균 분자량
- 538.4 g/mol
- 단동위원소 질량
- 538.15519287
이름 및 식별자
- 우선 이름
- (E)-(+)-2-(2,4-Difluorophenyl)-1-{3-[4-(2,2,3,3-tetrafluoropropoxy)styryl]-1H-1,2,4-triazol-1-YL}-3-(1H-1,2,4-triazol-1-YL)propan-2-OL
- IUPAC
- 2-(2,4-difluorophenyl)-1-[3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
이름 및 동의어
(E)-(+)-2-(2,4-DIFLUOROPHENYL)-1-{3-[4-(2,2,3,3-TETRAFLUOROPROPOXY)STYRYL]-1H-1,2,4-TRIAZOL-1-YL}-3-(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL2-(2,4-Difluorophenyl)-1-{3-[(E)-4-(2,2,3,3-tetrafluoropropoxy)styryl]-1H-1,2,4-triazol-1-yl}-3-(1H-1,2,4-triazol-1-yl) propan-2-olSCHEMBL5439180CHEMBL4797953DTXSID70869909AKOS040745863194798-94-2CS-0063048T241562-(2,4-Difluorophenyl)-1-(3-{(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethen-1-yl}-1H-1,2,4-triazol-1-yl)-3-(1H-1,2,4-triazol-1-yl)propan-2-ol2-(2,4-Difluorophenyl)-1-(3-{(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]vinyl}-1H-1,2,4-triazol-1-yl)-3-(1H-1,2,4-triazol-1-yl)-2-propanol2-(2,4-difluorophenyl)-1-{3-[(e)-4-(2,2,3,3-tetrafluoropropoxy)styryl]-1h-1,2,4-triazol-1-yl}-3-(1h-1,2,4-triazol-1-yl)propan-2-ol
데이터베이스 식별자
- CAS
194798-94-2- PubChem CID
- 10030147
- DTXSID
DTXSID70869909- ChEMBL
CHEMBL4797953- Nikkaji
- J407.194H
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 90.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 777
관련 반응
2건
화합물 노트
불러오는 중…