Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Ethyl 2-[[2-[[5-(4-chloro-1,5-dimethylpyrazol-3-yl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
ethyl 2-[({[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
![Ethyl 2-[[2-[[5-(4-chloro-1,5-dimethylpyrazol-3-yl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate 분자 구조식](/img/chemical/178777913.png)
식별자 및 물리적 특성
| CAS No. | 957490-87-8 |
|---|---|
| 분자식 | C25H27ClN6O4S2 |
| 평균 분자량 | 575.1 g/mol |
| SMILES | CCOC(=O)c1c(NC(=O)CSc2nnc(-c3nn(C)c(C)c3Cl)n2-c2ccccc2OC)sc(C)c1C |
| InChIKey | WQRLQWOQMKDPGH-UHFFFAOYSA-N |
화학 및 물리적 성질
| XLogP | 5.4 |
|---|---|
| 극성 표면적 | 167 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 9 |
| 회전 가능 결합 수 | 10 |
| 무거운 원자 수 | 38 |
| 형식 전하 | 0 |
| 복잡도 | 833 |