4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-pyridin-2-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
기본 정보
- CAS
577997-28-5- 표준 SMILES
O=C(C1=C(O)C(=O)N(CCOCCO)C1c1ccccn1)c1cccs1- InChIKey
WNWDOJAGDPPRQT-UHFFFAOYSA-N- 분자식
- C18H18N2O5S
- 평균 분자량
- 374.4 g/mol
이름 및 식별자
- 우선 이름
- 4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-pyridin-2-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
- IUPAC
- 4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-pyridin-2-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
- 영어명
- 3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5-(2-pyridinyl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
- 분자식
- C18H18N2O5S
- 분자량
- 374.41
이름 및 동의어
577997-28-54-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-pyridin-2-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-oneMLS000333041CHEMBL1366928HMS2809J14STL055247AKOS005708199AKOS0242979703-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5-(2-pyridinyl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-oneSMR000436317AQ-149/43372346(4E)-1-[2-(2-hydroxyethoxy)ethyl]-4-[hydroxy(thiophen-2-yl)methylidene]-5-(pyridin-2-yl)pyrrolidine-2,3-dione
이름 더 보기
2H-Pyrrol-2-one, 1,5-dihydro-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5-(2-pyridinyl)-4-(2-thienylcarbonyl)-
3-hydroxy-1-(2-(2-hydroxyethoxy)ethyl)-5-(pyridin-2-yl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one3-Hydroxy-1-[2-(2-hydroxy-ethoxy)-ethyl]-5-pyridin-2-yl-4-(thiophene-2-carbonyl)-1,5-dihydro-pyrrol-2-on e3-HYDROXY-1-[2-(2-HYDROXYETHOXY)ETHYL]-5-(2-PYRIDYL)-4-(2-THIENYLCARBONYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
데이터베이스 식별자
- CAS
577997-28-5- ChEMBL
CHEMBL1366928
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 128 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 568
실험 및 물리화학적 성질
Solubility>56.2 [ug/mL] (The mean of the results at pH 7.4)
물리화학적 성질
- 끓는 점
- 649.7 · 649.7±55.0 °C(Predicted)
- 밀도
- 1.435 · 1.435±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.5 · 4.50±1.00(Predicted)
관련 반응
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