4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(4-phenylmethoxyphenyl)-2H-pyrrol-5-one
기본 정보
- CAS
618080-48-1- 표준 SMILES
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)C2c2ccc(OCc3ccccc3)cc2)o1- InChIKey
FBBLONPXFZQMAG-UHFFFAOYSA-N- 분자식
- C29H30N2O6
- 평균 분자량
- 502.6 g/mol
이름 및 식별자
- 우선 이름
- 4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(4-phenylmethoxyphenyl)-2H-pyrrol-5-one
- IUPAC
- 4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(4-phenylmethoxyphenyl)-2H-pyrrol-5-one
- 영어명
- 5-[4-(benzyloxy)phenyl]-3-hydroxy-4-(5-methyl-2-furoyl)-1-[2-(4-morpholinyl)ethyl]-1,5-dihydro-2H-pyrrol-2-one
- 분자식
- C29H30N2O6
- 분자량
- 502.56
이름 및 동의어
5-[4-(benzyloxy)phenyl]-3-hydroxy-4-[(5-methylfuran-2-yl)carbonyl]-1-[2-(morpholin-4-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-oneAF-399/41902475STK816906AKOS002237558AKOS0160686124-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(4-phenylmethoxyphenyl)-2H-pyrrol-5-one5-[4-(benzyloxy)phenyl]-3-hydroxy-4-(5-methyl-2-furoyl)-1-[2-(4-morpholinyl)ethyl]-1,5-dihydro-2H-pyrrol-2-one2H-Pyrrol-2-one, 1,5-dihydro-3-hydroxy-4-[(5-methyl-2-furanyl)carbonyl]-1-[2-(4-morpholinyl)ethyl]-5-[4-(phenylmethoxy)phenyl]-
데이터베이스 식별자
- CAS
618080-48-1
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 92.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 826
물리화학적 성질
- 끓는 점
- 713.6 · 713.6±60.0 °C(Predicted)
- 밀도
- 1.289 · 1.289±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.5 · 4.50±1.00(Predicted)
관련 반응
0건
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