Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
11-(4-bromophenyl)-14-[(2-methyl-1H-indol-3-yl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
6H-Benzo[h]thiazolo[2,3-b]quinazolin-9(10H)-one, 7-(4-bromophenyl)-5,7-dihydro-10-[(2-methyl-1H-indol-3-yl)methylene]- · (Z)-7-(4-bromophenyl)-10-((2-methyl-1H-indol-3-yl)methylene)-7,10-dihydro-5H-benzo[h]thiazolo[2,3-b]quinazolin-9(6H)-one · 7-(4-bromophenyl)-10-[(2-methyl-1H-indol-3-yl)methylene]-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
![11-(4-bromophenyl)-14-[(2-methyl-1H-indol-3-yl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one 분자 구조식](/img/chemical/178934064.png)
식별자 및 물리적 특성
| CAS No. | 353502-21-3 |
|---|---|
| 분자식 | C30H22BrN3OS |
| 평균 분자량 | 552.5 g/mol |
| SMILES | Cc1[nH]c2ccccc2c1C=c1sc2n(c1=O)C(c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 |
| InChIKey | HAUDFQIJTSYVTR-UHFFFAOYSA-N |
화학 및 물리적 성질
| XLogP | 6.9 |
|---|---|
| 극성 표면적 | 73.8 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 36 |
| 형식 전하 | 0 |
| 복잡도 | 998 |
| 끓는 점 | 740.7±70.0 °C(Predicted) |
| 밀도 | 1.53±0.1 g/cm3(Predicted) |
| pKa(산도 계수) | 16.20±0.30(Predicted) |