Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
N-[4-[(3-tert-butyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenyl]acetamide
N-[4-[(~{Z})-(3-tert-butyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenyl]acetamide · N-(4-((3-(TERT-BUTYL)-5-OXO-1-PHENYL-2-PYRAZOLIN-4-YLIDENE)METHYL)PHENYL)ETHANAMIDE · N-(4-{[(4Z)-3-tert-butyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}phenyl)acetamide · Acetamide, N-[4-[[3-(1,1-dimethylethyl)-1,5-dihydro-5-oxo-1-phenyl-4H-pyrazol-4-ylidene]methyl]phenyl]-
![N-[4-[(3-tert-butyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenyl]acetamide 분자 구조식](/img/chemical/178635539.png)
식별자 및 물리적 특성
| CAS No. | 1025561-80-1 |
|---|---|
| 분자식 | C22H23N3O2 |
| 평균 분자량 | 361.4 g/mol |
| 단동위원소 질량 | 361.17902698 g/mol |
| SMILES | CC(=O)Nc1ccc(C=C2C(=O)N(c3ccccc3)N=C2C(C)(C)C)cc1 |
| InChIKey | MYOBZJXKSSIVHD-UHFFFAOYSA-N |
| PubChem CID | 4438988 |
화학 및 물리적 성질
| XLogP | 4 |
|---|---|
| 극성 표면적 | 61.8 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 27 |
| 형식 전하 | 0 |
| 복잡도 | 630 |
| 밀도 | 1.138±0.14 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa(산도 계수) | 14.567±0.70(predicted) |