Ethyl 2-[4-(3-methylbenzyl)-3-oxo-3,4-dihydro-2-quinoxalinyl]acetate
기본 정보
- CAS
478041-08-6- 표준 SMILES
CCOC(=O)Cc1nc2ccccc2n(Cc2cccc(C)c2)c1=O- InChIKey
SWCRNFYJYTYWFV-UHFFFAOYSA-N- 분자식
- C20H20N2O3
- 평균 분자량
- 336.4 g/mol
- 단동위원소 질량
- 336.1473925
이름 및 식별자
- 우선 이름
- Ethyl 2-[4-(3-methylbenzyl)-3-oxo-3,4-dihydro-2-quinoxalinyl]acetate
- IUPAC
- ethyl 2-[4-[(3-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]acetate
- 영어명
- Ethyl 2-[4-(3-methylbenzyl)-3-oxo-3,4-dihydro-2-quinoxalinyl]acetate
- 분자식
- C20H20N2O3
- 분자량
- 336.38
이름 및 동의어
478041-08-6ethyl 2-[4-(3-methylbenzyl)-3-oxo-3,4-dihydro-2-quinoxalinyl]acetateethyl 2-{4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}acetateethyl 2-[4-[(3-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]acetateOprea1_164646DTXSID001150882MFCD02186441AKOS0050893743R-0825ethyl 2-[4-(m-tolylmethyl)-3-oxo-quinoxalin-2-yl]acetateEthyl 2-(4-(3-methylbenzyl)-3-oxo-3,4-dihydroquinoxalin-2-yl)acetateEthyl 3,4-dihydro-4-[(3-methylphenyl)methyl]-3-oxo-2-quinoxalineacetate
이름 더 보기
2-Quinoxalineacetic acid, 3,4-dihydro-4-[(3-methylphenyl)methyl]-3-oxo-, ethyl ester
Ethyl {4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}acetateethyl2-{4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}acetate
데이터베이스 식별자
- CAS
478041-08-6- PubChem CID
- 3819313
- DTXSID
DTXSID001150882
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 59 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 531
물리화학적 성질
- 끓는 점
- 505.6 · 505.6±60.0 °C(Predicted)
- 밀도
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -0.54 · -0.54±0.70(Predicted)
관련 반응
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