2-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
기본 정보
- CAS
618374-94-0- 표준 SMILES
Cc1ccc(C(=O)C2=C(O)C(=O)N(CC3CCCO3)C2c2ccc(F)cc2)o1- InChIKey
LKPXPBWWKRCSIH-UHFFFAOYSA-N- 분자식
- C21H20FNO5
- 평균 분자량
- 385.4 g/mol
이름 및 식별자
- 우선 이름
- 2-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
- IUPAC
- 2-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
- 영어명
- 5-(4-fluorophenyl)-3-hydroxy-4-(5-methyl-2-furoyl)-1-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-pyrrol-2-one
- 분자식
- C21H20FNO5
- 분자량
- 385.39
이름 및 동의어
5-(4-fluorophenyl)-3-hydroxy-4-[(5-methylfuran-2-yl)carbonyl]-1-(tetrahydrofuran-2-ylmethyl)-1,5-dihydro-2H-pyrrol-2-oneSTK816912AKOS002237630AKOS0160711772-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-oneST096526AF-399/419009685-(4-fluorophenyl)-3-hydroxy-4-(5-methyl-2-furoyl)-1-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-pyrrol-2-one5-(4-fluorophenyl)-3-hydroxy-4-[(5-methyl(2-furyl))carbonyl]-1-(oxolan-2-ylmet hyl)-3-pyrrolin-2-one2H-Pyrrol-2-one, 5-(4-fluorophenyl)-1,5-dihydro-3-hydroxy-4-[(5-methyl-2-furanyl)carbonyl]-1-[(tetrahydro-2-furanyl)methyl]-
데이터베이스 식별자
- CAS
618374-94-0
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 80 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 657
물리화학적 성질
- 끓는 점
- 584.9 · 584.9±50.0 °C(Predicted)
- 밀도
- 1.374 · 1.374±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.5 · 4.50±1.00(Predicted)
관련 반응
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