Ethyl 2-({[(3-cyano-6-methyl-2-quinolinyl)sulfanyl]acetyl}amino)-4,5-dimethyl-3-thiophenecarboxylate
기본 정보
- CAS
333323-24-3- 표준 SMILES
CCOC(=O)c1c(NC(=O)CSc2nc3ccc(C)cc3cc2C#N)sc(C)c1C- InChIKey
RRKHXRMDMTYYCZ-UHFFFAOYSA-N- 분자식
- C22H21N3O3S2
- 평균 분자량
- 439.6 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 2-({[(3-cyano-6-methyl-2-quinolinyl)sulfanyl]acetyl}amino)-4,5-dimethyl-3-thiophenecarboxylate
- IUPAC
- ethyl 2-[[2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
- 영어명
- ethyl 2-({[(3-cyano-6-methyl-2-quinolinyl)sulfanyl]acetyl}amino)-4,5-dimethyl-3-thiophenecarboxylate
- 분자식
- C22H21N3O3S2
- 분자량
- 439.55
이름 및 동의어
ethyl 2-({[(3-cyano-6-methyl-2-quinolinyl)sulfanyl]acetyl}amino)-4,5-dimethyl-3-thiophenecarboxylateAKOS000730010ST50335227AG-690/40698413ethyl 2-[[2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxylateethyl 2-[2-(3-cyano-6-methyl(2-quinolylthio))acetylamino]-4,5-dimethylthiophen e-3-carboxylate3-Thiophenecarboxylic acid, 2-[[2-[(3-cyano-6-methyl-2-quinolinyl)thio]acetyl]amino]-4,5-dimethyl-, ethyl ester
데이터베이스 식별자
- CAS
333323-24-3
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 146 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 682
물리화학적 성질
- 끓는 점
- 663 · 663.0±55.0 °C(Predicted)
- 밀도
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.01 · 12.01±0.70(Predicted)
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…