기본 정보
- CAS
315702-32-0- 표준 SMILES
C=CCn1c(SCC(=O)NCCOCCO)nc2sc(C)c(C)c2c1=O- InChIKey
OOOZTYRHKKGAMJ-UHFFFAOYSA-N- 분자식
- C17H23N3O4S2
- 평균 분자량
- 397.5 g/mol
이름 및 식별자
- 우선 이름
- 2-[(3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide
- IUPAC
- 2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[2-(2-hydroxyethoxy)ethyl]acetamide
- 영어명
- 2-[(3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide
- 분자식
- C17H23N3O4S2
- 분자량
- 397.51
이름 및 동의어
2-[(3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide315702-32-0CDS1_001986ChemDiv1_008386DivK1c_003026HMS610N04SBB083686STK837593AKOS0005275492-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[2-(2-hydroxyethoxy)ethyl]acetamideAF-399/15335565SR-01000471516
이름 더 보기
Acetamide, 2-[[3,4-dihydro-5,6-dimethyl-4-oxo-3-(2-propen-1-yl)thieno[2,3-d]pyrimidin-2-yl]thio]-N-[2-(2-hydroxyethoxy)ethyl]-
SR-01000471516-12-((3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-(2-hydroxyethoxy)ethyl)acetamide2-(5,6-dimethyl-4-oxo-3-prop-2-enyl(3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio) )-N-[2-(2-hydroxyethoxy)ethyl]acetamide2-{[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[2-(2-hydroxyethoxy)ethyl]acetamide2-{[5,6-DIMETHYL-4-OXO-3-(PROP-2-EN-1-YL)-3H,4H-THIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}-N-[2-(2-HYDROXYETHOXY)ETHYL]ACETAMIDE
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 145 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 558
물리화학적 성질
- 밀도
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.83 · 13.83±0.46(Predicted)
화학 및 산업
공급사4 곳
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
OTAVA-BB[email protected]
SPECS[email protected]
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