Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
ethyl 5-(4-chlorophenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 5-(4-chlorophenyl)-2-(1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate · 5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 5-(4-chlorophenyl)-2-(1-ethyl-1,2-dihydro-2-oxo-3H-indol-3-ylidene)-2,3-dihydro-7-methyl-3-oxo-, ethyl ester
![ethyl 5-(4-chlorophenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate 분자 구조식](/img/chemical/178934045.png)
식별자 및 물리적 특성
| CAS No. | 312937-48-7 |
|---|---|
| 분자식 | C26H22ClN3O4S |
| 평균 분자량 | 508 g/mol |
| SMILES | CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC)c4ccccc43)c(=O)n2C1c1ccc(Cl)cc1 |
| InChIKey | GOGSCQZGRREEMW-UHFFFAOYSA-N |
화학 및 물리적 성질
| XLogP | 4.3 |
|---|---|
| 극성 표면적 | 105 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 5 |
| 무거운 원자 수 | 35 |
| 형식 전하 | 0 |
| 복잡도 | 1,030 |
| 끓는 점 | 593.9±60.0 °C(Predicted) |
| 밀도 | 1.43±0.1 g/cm3(Predicted) |
| pKa(산도 계수) | -2.18±0.20(Predicted) |