기본 정보
- CAS
663218-09-5- 표준 SMILES
CCOC(=O)C1C(=O)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)C1c1ccccc1F- InChIKey
IRNZSSADYWOWKJ-UHFFFAOYSA-N- 분자식
- C23H19F2N3O4S
- 평균 분자량
- 471.5 g/mol
- 단동위원소 질량
- 471.10643359
이름 및 식별자
- 우선 이름
- ethyl 5-cyano-6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
- IUPAC
- ethyl 5-cyano-6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
- 영어명
- ethyl 5-cyano-6-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydro-3-pyridinecarboxylate
- 분자식
- C23H19F2N3O4S
- 분자량
- 471.48
이름 및 동의어
663218-09-5ethyl 5-cyano-6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylateSTK577767STK826366AKOS005502149AKOS005632713AE-848/41828153ethyl 5-cyano-4-(2-fluorophenyl)-6-((2-((4-fluorophenyl)amino)-2-oxoethyl)thio)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylateethyl 5-cyano-4-(2-fluorophenyl)-6-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-2-hydroxy-3,4-dihydropyridine-3-carboxylateethyl 5-cyano-4-(2-fluorophenyl)-6-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylateethyl 5-cyano-6-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydro-3-pyridinecarboxylate3-Pyridinecarboxylic acid, 5-cyano-4-(2-fluorophenyl)-6-[[2-[(4-fluorophenyl)amino]-2-oxoethyl]thio]-1,2,3,4-tetrahydro-2-oxo-, ethyl ester
데이터베이스 식별자
- CAS
663218-09-5- PubChem CID
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 134 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 835
물리화학적 성질
- 끓는 점
- 686.8 · 686.8±55.0 °C(Predicted)
- 밀도
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.89 · 8.89±0.70(Predicted)
화학 및 산업
공급사3 곳
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…