4-(2-hydroxyethyl)-5-methyl-2-phenyl-1-{[2-(2,2,2-trifluoroacetyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]sulfonyl}-1,2-dihydro-3H-pyrazol-3-one
기본 정보
- CAS
861207-34-3- 표준 SMILES
Cc1c(CCO)c(=O)n(-c2ccccc2)n1S(=O)(=O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2- InChIKey
NYHFEPAJVJPACY-UHFFFAOYSA-N- 분자식
- C23H22F3N3O5S
- 평균 분자량
- 509.5 g/mol
이름 및 식별자
- 우선 이름
- 4-(2-hydroxyethyl)-5-methyl-2-phenyl-1-{[2-(2,2,2-trifluoroacetyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]sulfonyl}-1,2-dihydro-3H-pyrazol-3-one
- IUPAC
- 4-(2-hydroxyethyl)-5-methyl-2-phenyl-1-[[2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonyl]pyrazol-3-one
- 영어명
- 4-(2-Hydroxyethyl)-5-methyl-2-phenyl-1-([2-(2,2,2-trifluoroacetyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]sulfonyl)-1,2-dihydro-3H-pyrazol-3-one
- 분자식
- C23H22F3N3O5S
- 분자량
- 509.5
이름 및 동의어
861207-34-34-(2-hydroxyethyl)-5-methyl-2-phenyl-1-{[2-(2,2,2-trifluoroacetyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]sulfonyl}-1,2-dihydro-3H-pyrazol-3-one4-(2-Hydroxyethyl)-5-methyl-2-phenyl-1-((2-(2,2,2-trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)sulfonyl)-1,2-dihydro-3H-pyrazol-3-oneAKOS0050842104-(2-hydroxyethyl)-5-methyl-2-phenyl-1-[[2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonyl]pyrazol-3-one1X-03064-(2-hydroxyethyl)-5-methyl-2-phenyl-1-{[2-(2,2,2-trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfonyl}-2,3-dihydro-1H-pyrazol-3-one4-(2-Hydroxyethyl)-5-methyl-2-phenyl-1-([2-(2,2,2-trifluoroacetyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]sulfonyl)-1,2-dihydro-3H-pyrazol-3-one3H-Pyrazol-3-one, 1,2-dihydro-4-(2-hydroxyethyl)-5-methyl-2-phenyl-1-[[1,2,3,4-tetrahydro-2-(2,2,2-trifluoroacetyl)-7-isoquinolinyl]sulfonyl]-
데이터베이스 식별자
- CAS
861207-34-3
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 107 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 972
물리화학적 성질
- 끓는 점
- 681.7 · 681.7±65.0 °C(Predicted)
- 밀도
- 1.461 · 1.461±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.69 · 14.69±0.10(Predicted)
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…