5-[[[(2,4-Difluorophenyl)methyl]amino]carbonyl]-1-(2,2-dimethoxyethyl)-1,4-dihydro-4-oxo-3-(phenylmethoxy)-2-pyridinecarboxylic acid methyl ester
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기본 정보
- CAS
1229006-21-6- 표준 SMILES
COC(=O)c1c(OCc2ccccc2)c(=O)c(C(=O)NCc2ccc(F)cc2F)cn1CC(OC)OC- InChIKey
MKGWUEHHJABKDI-UHFFFAOYSA-N- 분자식
- C26H26F2N2O7
- 평균 분자량
- 516.5 g/mol
- 단동위원소 질량
- 516.1708075
이름 및 식별자
- 우선 이름
- 5-[[[(2,4-Difluorophenyl)methyl]amino]carbonyl]-1-(2,2-dimethoxyethyl)-1,4-dihydro-4-oxo-3-(phenylmethoxy)-2-pyridinecarboxylic acid methyl ester
- IUPAC
- methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-1-(2,2-dimethoxyethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxylate
- 영어명
- 5-[[[(2,4-Difluorophenyl)methyl]amino]carbonyl]-1-(2,2-dimethoxyethyl)-1,4-dihydro-4-oxo-3-(phenylmethoxy)-2-pyridinecarboxylic acid methyl ester
- 분자식
- C26H26F2N2O7
- 분자량
- 516.49
이름 및 동의어
1229006-21-6Methyl 3-(benzyloxy)-5-((2,4-difluorobenzyl)carbamoyl)-1-(2,2-dimethoxyethyl)-4-oxo-1,4-dihydropyridine-2-carboxylate5-[[[(2,4-Difluorophenyl)methyl]amino]carbonyl]-1-(2,2-dimethoxyethyl)-1,4-dihydro-4-oxo-3-(phenylmethoxy)-2-pyridinecarboxylic acid methyl esterMFCD290727952-Pyridinecarboxylic acid, 5-[[[(2,4-difluorophenyl)methyl]amino]carbonyl]-1-(2,2-dimethoxyethyl)-1,4-dihydro-4-oxo-3-(phenylmethoxy)-, methyl estermethyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-1-(2,2-dimethoxyethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxylateC26H26F2N2O7SCHEMBL1357439AKOS030524221DS-19938DB-229286CS-0188049
이름 더 보기
A11961F626817dimethoxyethyl)-4-oxo-1,4-dihydropyridine-2,5-dicarboxylate5-[[[(2,4-Difluorophenyl)methyl]amino]carbonyl]-1-(2,2-dimet...1-[2,2-bis(methyloxy)ethyl]-5-({[(2,4-difluorophenyl)methyl]amino}carbonyl)-4-oxo-3-[(phenylmethyl)oxy]-1,4-dihydro-2-pyridinecarboxylic acid methyl estermethyl 3-benzyloxy-5-[(2,4-difluorophenyl)methylcarbamoyl]-1-(2,2-dimethoxyethyl)-4-oxo-pyridine-2-carboxylateMethyl3-(benzyloxy)-5-((2,4-difluorobenzyl)carbamoyl)-1-(2,2-dimethoxyethyl)-4-oxo-1,4-dihydropyridine-2-carboxylate
물성
구조 계산 물성보충 중
- XLogP
- 3.6
- 극성 표면적
- 103 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 884
물리화학적 성질
- 끓는 점
- 696.2 · 696.2±55.0 °C(Predicted)
- 밀도
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 10.97 · 10.97±0.40(Predicted)
화학 및 산업
상·하류 제품 정보
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