3-(2,6-dichlorobenzyl)-1-{2-[(4-fluorobenzyl)sulfanyl]-2-methylpropyl}-2-methyl-4(1H)-pyridinone
기본 정보
- CAS
478246-02-5- 표준 SMILES
Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1CC(C)(C)SCc1ccc(F)cc1- InChIKey
VTJADERBVPMSAC-UHFFFAOYSA-N- 분자식
- C24H24Cl2FNOS
- 평균 분자량
- 464.4 g/mol
이름 및 식별자
- 우선 이름
- 3-(2,6-dichlorobenzyl)-1-{2-[(4-fluorobenzyl)sulfanyl]-2-methylpropyl}-2-methyl-4(1H)-pyridinone
- IUPAC
- 3-[(2,6-dichlorophenyl)methyl]-1-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]-2-methylpyridin-4-one
- 영어명
- 3-(2,6-Dichlorobenzyl)-1-(2-[(4-fluorobenzyl)sulfanyl]-2-methylpropyl)-2-methyl-4(1H)-pyridinone
- 분자식
- C24H24Cl2FNOS
- 분자량
- 464.42
이름 및 동의어
478246-02-53-(2,6-dichlorobenzyl)-1-{2-[(4-fluorobenzyl)sulfanyl]-2-methylpropyl}-2-methyl-4(1H)-pyridinone3-[(2,6-dichlorophenyl)methyl]-1-(2-{[(4-fluorophenyl)methyl]sulfanyl}-2-methylpropyl)-2-methyl-1,4-dihydropyridin-4-one3-[(2,6-dichlorophenyl)methyl]-1-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]-2-methylpyridin-4-oneOprea1_317789AKOS0051039619M-7183-(2,6-Dichlorobenzyl)-1-(2-[(4-fluorobenzyl)sulfanyl]-2-methylpropyl)-2-methyl-4(1H)-pyridinone4(1H)-Pyridinone, 3-[(2,6-dichlorophenyl)methyl]-1-[2-[[(4-fluorophenyl)methyl]thio]-2-methylpropyl]-2-methyl-
데이터베이스 식별자
- CAS
478246-02-5
물성
구조 계산 물성
- XLogP
- 6.7
- 극성 표면적
- 45.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 662
물리화학적 성질
- 끓는 점
- 564.5 · 564.5±50.0 °C(Predicted)
- 밀도
- 1.273 · 1.273±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.97 · 2.97±0.10(Predicted)
관련 반응
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