ethyl 2-[(3-ethoxy-4-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5-(2-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
기본 정보
- CAS
496960-56-6- 표준 SMILES
CCCOc1ccccc1C1C(C(=O)OCC)=C(C)N=c2sc(=Cc3ccc(O)c(OCC)c3)c(=O)n21- InChIKey
HGNWDHGIMRCNPW-UHFFFAOYSA-N- 분자식
- C28H30N2O6S
- 평균 분자량
- 522.6 g/mol
이름 및 식별자
- 우선 이름
- ethyl 2-[(3-ethoxy-4-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5-(2-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 2-[(3-ethoxy-4-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5-(2-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- 영어명
- ethyl 2-(3-ethoxy-4-hydroxybenzylidene)-7-methyl-3-oxo-5-(2-propoxyphenyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- 분자식
- C28H30N2O6S
- 분자량
- 522.61
이름 및 동의어
Oprea1_215082ethyl 2-(3-ethoxy-4-hydroxybenzylidene)-7-methyl-3-oxo-5-(2-propoxyphenyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateethyl (2Z)-2-(3-ethoxy-4-hydroxybenzylidene)-7-methyl-3-oxo-5-(2-propoxyphenyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2-[(3-ethoxy-4-hydroxyphenyl)methylene]-2,3-dihydro-7-methyl-3-oxo-5-(2-propoxyphenyl)-, ethyl ester
데이터베이스 식별자
- CAS
496960-56-6
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 123 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 947
물리화학적 성질
- 끓는 점
- 651 · 651.0±65.0 °C(Predicted)
- 밀도
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.32 · 9.32±0.35(Predicted)
관련 반응
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