기본 정보
- CAS
1123193-82-7- 표준 SMILES
COc1nc(/C=C/c2nc3n(n2)CCC[C@H]3c2ccccc2C(F)(F)F)ccc1-n1cnc(C)c1- InChIKey
SSGLBUGNISHUAO-RDELFYGPSA-N- 분자식
- C25H23F3N6O
- 평균 분자량
- 480.5 g/mol
이름 및 식별자
- 우선 이름
- E-2212
- IUPAC
- (8S)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
이름 및 동의어
UNII-V9KGF25853E-2212E2212V9KGF258531123193-82-7(1,2,4)Triazolo(1,5-a)pyridine, 5,6,7,8-tetrahydro-2-((1E)-2-(6-methoxy-5-(4-methyl-1H-imidazol-1-yl)-2-pyridinyl)ethenyl)-8-(2-(trifluoromethyl)phenyl)-, (8S)-RefChem:136139SCHEMBL211792CHEMBL2151205BDBM50534369(-)-(8S)-2-{(E)-2-[6-Methoxy-5-(4-methyl-1H-imidazol-1-yl)pyridin-2-yl]vinyl}-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridine(-)-(8S)-2-{(E)-2-[6-Methyoxy-5(4-methyl-1H-imidazol-1-yl)pyridin-2-yl]vinyl}-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridine
이름 더 보기
(8S)-2-{(E)-2-[6-methoxy-5-(4-methyl-1H-imidazol-1-yl)pyridin-2-yl]vinyl}-8-(2-trifluoromethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine(8S)-2-{(E)-2-[6-Methoxy-5-(4-methyl-1H-imidazol-1-yl)pyridin-2-yl]vinyl}-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridine(S,E)-2-(2-(6-Methoxy-5-(4-methyl-1H-imidazol-1-yl)pyridin-2-yl)vinyl)-8-(2-(trifluoromethyl)phenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
데이터베이스 식별자
- CAS
1123193-82-7- PubChem CID
- 46854987
- ChEMBL
CHEMBL2151205- UNII
- V9KGF25853
- Nikkaji
- J2.972.532B、J3.747.182H
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 70.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 738
관련 반응
8건
화합물 노트
불러오는 중…