4-{[4-(benzyloxy)-2-methylphenyl]carbonyl}-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one
기본 정보
- CAS
500279-20-9- 표준 SMILES
Cc1ccc(C2/C(=C(\O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCN(C)C)cc1- InChIKey
CCQWZQOKSDOAQM-BYCLXTJYSA-N- 분자식
- C30H32N2O4
- 평균 분자량
- 484.6 g/mol
- 단동위원소 질량
- 484.23620751
이름 및 식별자
- 우선 이름
- 4-{[4-(benzyloxy)-2-methylphenyl]carbonyl}-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione
- 영어명
- 4-{[4-(benzyloxy)-2-methylphenyl]carbonyl}-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one
- 분자식
- C30H32N2O4
- 분자량
- 484.59
이름 및 동의어
STK812060AKOS002192409AKOS0160641154-{[4-(benzyloxy)-2-methylphenyl]carbonyl}-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one4-(4-(benzyloxy)-2-methylbenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(p-tolyl)-1H-pyrrol-2(5H)-one4-[4-(benzyloxy)-2-methylbenzoyl]-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one2H-Pyrrol-2-one, 1-[2-(dimethylamino)ethyl]-1,5-dihydro-3-hydroxy-5-(4-methylphenyl)-4-[2-methyl-4-(phenylmethoxy)benzoyl]-
데이터베이스 식별자
- CAS
500279-20-9- PubChem CID
- 5911394
- EC Number
- 134-795-1
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 70.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 795
물리화학적 성질
- 끓는 점
- 688.9 · 688.9±55.0 °C(Predicted)
- 밀도
- 1 · 1+-.0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.5 · 4.50±1.00(Predicted)
관련 반응
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