기본 정보
- CAS
488717-32-4- 표준 SMILES
CCOc1cc(C2/C(=C(\O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCCN2CCOCC2)ccc1O- InChIKey
IBKZBMYPAPMAPD-UHFFFAOYSA-N- 분자식
- C31H40N2O7
- 평균 분자량
- 552.7 g/mol
- 단동위원소 질량
- 552.28355162
이름 및 식별자
- 우선 이름
- (4E)-5-(3-ethoxy-4-hydroxyphenyl)-4-[hydroxy-[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
- IUPAC
- (4E)-5-(3-ethoxy-4-hydroxyphenyl)-4-[hydroxy-[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
- 영어명
- 5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-1-(3-morpholin-4-ylpropyl)-1,5-dihydro-2H-pyrrol-2-one
- 분자식
- C31H40N2O7
- 분자량
- 552.66
이름 및 동의어
5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-1-(3-morpholin-4-ylpropyl)-1,5-dihydro-2H-pyrrol-2-oneAF-399/41703490STK811969AKOS002191508AKOS016056729(4E)-5-(3-ethoxy-4-hydroxyphenyl)-4-[hydroxy-[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-1-(3-morpholinopropyl)-1H-pyrrol-2(5H)-one5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-1-[3-(4-morpholinyl)propyl]-1,5-dihydro-2H-pyrrol-2-one5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-4-{[3-methyl-4-(2-methylpropoxy)phenyl]carbonyl}-1-[3-(morpholin-4-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one2H-Pyrrol-2-one, 5-(3-ethoxy-4-hydroxyphenyl)-1,5-dihydro-3-hydroxy-4-[3-methyl-4-(2-methylpropoxy)benzoyl]-1-[3-(4-morpholinyl)propyl]-
데이터베이스 식별자
- CAS
488717-32-4- PubChem CID
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 109 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 887
물리화학적 성질
- 끓는 점
- 747.8 · 747.8±60.0 °C(Predicted)
- 밀도
- 1.224 · 1.224±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.5 · 4.50±1.00(Predicted)
화학 및 산업
공급사3 곳
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