ethyl 5-(4-chlorophenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
기본 정보
- CAS
313068-71-2- 표준 SMILES
CCOC(=O)C1=C(C)N=c2sc(=Cc3cccs3)c(=O)n2C1c1ccc(Cl)cc1- InChIKey
IRCOATLRBMKZPF-UHFFFAOYSA-N- 분자식
- C21H17ClN2O3S2
- 평균 분자량
- 445 g/mol
이름 및 식별자
- 우선 이름
- ethyl 5-(4-chlorophenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 5-(4-chlorophenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- 영어명
- ethyl 5-(4-chlorophenyl)-7-methyl-3-oxo-2-(2-thienylmethylene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- 분자식
- C21H17ClN2O3S2
- 분자량
- 444.96
이름 및 동의어
Oprea1_068908ethyl 5-(4-chlorophenyl)-7-methyl-3-oxo-2-(2-thienylmethylene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateETHYL (2E)-5-(4-CHLOROPHENYL)-7-METHYL-3-OXO-2-(2-THIENYLMETHYLENE)-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 5-(4-chlorophenyl)-2,3-dihydro-7-methyl-3-oxo-2-(2-thienylmethylene)-, ethyl esterethyl (2E)-5-(4-chlorophenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
데이터베이스 식별자
- CAS
313068-71-2
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 113 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 787
물리화학적 성질
- 끓는 점
- 578.253 · 578.253±60.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.437 · 1.437±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- -4.682 · -4.682±0.70(predicted)
관련 반응
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