3-(2,4-dichlorobenzyl)-4-hydroxy-1-(2-methyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}propyl)-2(1H)-pyridinone
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
672949-09-6- 표준 SMILES
CC(C)(Cn1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1=O)SCc1cccc(C(F)(F)F)c1- InChIKey
CMYHGXTVKACTIK-UHFFFAOYSA-N- 분자식
- C24H22Cl2F3NO2S
- 평균 분자량
- 516.4 g/mol
- 단동위원소 질량
- 515.07004
이름 및 식별자
- 우선 이름
- 3-(2,4-dichlorobenzyl)-4-hydroxy-1-(2-methyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}propyl)-2(1H)-pyridinone
- IUPAC
- 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-[2-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propyl]pyridin-2-one
- 영어명
- 3-(2,4-DICHLOROBENZYL)-4-HYDROXY-1-(2-METHYL-2-([3-(TRIFLUOROMETHYL)BENZYL]SULFANYL)PROPYL)-2(1H)-PYRIDINONE
- 분자식
- C24H22Cl2F3NO2S
- 분자량
- 516.4
이름 및 동의어
672949-09-63-(2,4-dichlorobenzyl)-4-hydroxy-1-(2-methyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}propyl)-2(1H)-pyridinone3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-[2-methyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)propyl]-1,2-dihydropyridin-2-one3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-[2-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propyl]pyridin-2-oneAKOS0050940485P-7123-(2,4-Dichlorobenzyl)-4-hydroxy-1-(2-methyl-2-((3-(trifluoromethyl)benzyl)thio)propyl)pyridin-2(1H)-one3-(2,4-DICHLOROBENZYL)-4-HYDROXY-1-(2-METHYL-2-([3-(TRIFLUOROMETHYL)BENZYL]SULFANYL)PROPYL)-2(1H)-PYRIDINONE2(1H)-Pyridinone, 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-[2-methyl-2-[[[3-(trifluoromethyl)phenyl]methyl]thio]propyl]-
데이터베이스 식별자
- CAS
672949-09-6- PubChem CID
- 54694345
물성
구조 계산 물성보충 중
- XLogP
- 6.6
- 극성 표면적
- 65.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 771
물리화학적 성질
- 끓는 점
- 598 · 598.0±50.0 °C(Predicted)
- 밀도
- 1.391 · 1.391±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.5 · 4.50±1.00(Predicted)
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…