기본 정보
- CAS
515151-68-5- 표준 SMILES
COc1ccc(C2C(C#N)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)cc1CSc1ccccn1- InChIKey
LCMAQUWOPVHYJP-UHFFFAOYSA-N- 분자식
- C30H25F3N4O2S
- 평균 분자량
- 562.6 g/mol
이름 및 식별자
- 우선 이름
- 2-Amino-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
- IUPAC
- 2-amino-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
- 영어명
- 2-amino-4-{4-methoxy-3-[(2-pyridinylsulfanyl)methyl]phenyl}-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
- 분자식
- C30H25F3N4O2S
- 분자량
- 562.6053096
이름 및 동의어
2-amino-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile2-amino-4-{4-methoxy-3-[(2-pyridinylsulfanyl)methyl]phenyl}-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrileAK-968/40733963STL173021AKOS0037963592-AMINO-4-{4-METHOXY-3-[(2-PYRIDYLSULFANYL)METHYL]PHENYL}-5-OXO-1-[2-(TRIFLUOROMETHYL)PHENYL]-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE2-amino-4-{4-methoxy-3-[(pyridin-2-ylsulfanyl)methyl]phenyl}-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile515151-68-5
데이터베이스 식별자
- CAS
515151-68-5
물성
구조 계산 물성
- XLogP
- 5.8
- 극성 표면적
- 118 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 1,070
화학 및 산업
공급사1 곳
SPECS[email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…