기본 정보
- CAS
1164469-68-4- 표준 SMILES
COc1cccc(/C=C/C(=C2/C(=O)N(c3ccccc3)N=C2C)c2ccc(C)cc2)c1OC- InChIKey
QVNDILWMFVYOEB-AAVFARQKSA-N- 분자식
- C28H26N2O3
- 평균 분자량
- 438.5 g/mol
이름 및 식별자
- 우선 이름
- 4-[3-(2,3-Dimethoxy-phenyl)-1-p-tolyl-allylidene]-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
- IUPAC
- (4Z)-4-[(E)-3-(2,3-dimethoxyphenyl)-1-(4-methylphenyl)prop-2-enylidene]-5-methyl-2-phenylpyrazol-3-one
- 영어명
- 4-[3-(2,3-dimethoxyphenyl)-1-(4-methylphenyl)-2-propenylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
- 분자식
- C28H26N2O3
- 분자량
- 438.52
이름 및 동의어
4-[3-(2,3-Dimethoxy-phenyl)-1-p-tolyl-allylidene]-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-oneMLS000559753Oprea1_218136CHEMBL1535858HMS2557E08AKOS000658656(4Z)-4-[(E)-3-(2,3-dimethoxyphenyl)-1-(4-methylphenyl)prop-2-enylidene]-5-methyl-2-phenylpyrazol-3-oneSMR000175676ST50236594AG-690/11637117(Z)-4-((E)-3-(2,3-Dimethoxyphenyl)-1-(p-tolyl)allylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one1164469-68-4
이름 더 보기
3H-Pyrazol-3-one, 4-[(2E)-3-(2,3-dimethoxyphenyl)-1-(4-methylphenyl)-2-propen-1-ylidene]-2,4-dihydro-5-methyl-2-phenyl-, (4Z)-
4-[(2E)-3-(2,3-dimethoxyphenyl)-1-(4-methylphenyl)prop-2-enylidene]-3-methyl-1 -phenyl-1,2-diazolin-5-one4-[3-(2,3-dimethoxyphenyl)-1-(4-methylphenyl)-2-propenylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 6.2
- 극성 표면적
- 51.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 772
물리화학적 성질
- 끓는 점
- 592.2 · 592.2±60.0 °C(Predicted)
- 밀도
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 0.65 · 0.65±0.20(Predicted)
화학 및 산업
공급사1 곳
SPECS[email protected]
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