ethyl 2-[[4-(dimethylamino)phenyl]methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
기본 정보
- CAS
307339-61-3- 표준 SMILES
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2C1c1ccc(OC)cc1- InChIKey
QNPXYVAGRYRISI-UHFFFAOYSA-N- 분자식
- C26H27N3O4S
- 평균 분자량
- 477.6 g/mol
이름 및 식별자
- 우선 이름
- ethyl 2-[[4-(dimethylamino)phenyl]methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 2-[[4-(dimethylamino)phenyl]methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- 영어명
- ethyl 2-[4-(dimethylamino)benzylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- 분자식
- C26H27N3O4S
- 분자량
- 477.58
이름 및 동의어
CBMicro_022167Oprea1_606783AKOS030695462(E)-ethyl 2-(4-(dimethylamino)benzylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylateethyl 2-[4-(dimethylamino)benzylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateETHYL (2E)-2-[4-(DIMETHYLAMINO)BENZYLIDENE]-5-(4-METHOXYPHENYL)-7-METHYL-3-OXO-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2-[[4-(dimethylamino)phenyl]methylene]-2,3-dihydro-5-(4-methoxyphenyl)-7-methyl-3-oxo-, ethyl ester
데이터베이스 식별자
- CAS
307339-61-3
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 96.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 880
물리화학적 성질
- 끓는 점
- 630 · 630.0±65.0 °C(Predicted)
- 밀도
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.94 · 3.94±0.24(Predicted)
관련 반응
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