5-(4-ethylphenyl)-4-(3-fluoro-4-methylbenzoyl)-1-(2-furylmethyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
기본 정보
- CAS
865593-14-2- 표준 SMILES
CCc1ccc(C2/C(=C(/O)c3ccc(C)c(F)c3)C(=O)C(=O)N2Cc2ccco2)cc1- InChIKey
LLCFPSZTMYBBIE-LNVKXUELSA-N- 분자식
- C25H22FNO4
- 평균 분자량
- 419.4 g/mol
- 단동위원소 질량
- 419.15328635
이름 및 식별자
- 우선 이름
- 5-(4-ethylphenyl)-4-(3-fluoro-4-methylbenzoyl)-1-(2-furylmethyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4Z)-5-(4-ethylphenyl)-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione
- 영어명
- 5-(4-Ethylphenyl)-4-(3-fluoro-4-methylbenzoyl)-1-(2-furylmethyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
- 분자식
- C25H22FNO4
- 분자량
- 419.45
이름 및 동의어
STK815133AKOS002194426AKOS0162986045-(4-ethylphenyl)-4-(3-fluoro-4-methylbenzoyl)-1-(2-furylmethyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one5-(4-ethylphenyl)-4-[(3-fluoro-4-methylphenyl)carbonyl]-1-(furan-2-ylmethyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one2H-Pyrrol-2-one, 5-(4-ethylphenyl)-4-(3-fluoro-4-methylbenzoyl)-1-(2-furanylmethyl)-1,5-dihydro-3-hydroxy-
데이터베이스 식별자
- CAS
865593-14-2- PubChem CID
- 16429635
- EC Number
- 135-646-3
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 70.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 714
물리화학적 성질
- 끓는 점
- 627.497 · 627.497±55.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.318 · 1.318±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 4.5 · 4.500±1.00(predicted)
관련 반응
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