기본 정보
- CAS
334498-22-5- 표준 SMILES
C=CCn1c(=O)c(C(=O)Nc2nc(CC(=O)OCC)cs2)c(O)c2ccccc21- InChIKey
GXZDMSBRKQXIFH-UHFFFAOYSA-N- 분자식
- C20H19N3O5S
- 평균 분자량
- 413.4 g/mol
- 단동위원소 질량
- 413.10454189
이름 및 식별자
- 우선 이름
- Ethyl (2-{[(1-allyl-4-hydroxy-2-oxo-1,2-dihydro-3-quinolinyl)carbonyl]amino}-1,3-thiazol-4-YL)acetate
- IUPAC
- ethyl 2-[2-[(4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
- 영어명
- ethyl 2-[2-[(4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
- 분자식
- C20H19N3O5S
- 분자량
- 413.45
이름 및 동의어
ETHYL (2-{[(1-ALLYL-4-HYDROXY-2-OXO-1,2-DIHYDRO-3-QUINOLINYL)CARBONYL]AMINO}-1,3-THIAZOL-4-YL)ACETATEChemDiv1_016874Oprea1_303687Oprea1_398208SCHEMBL13310303HMS634O22STK835045AKOS000624611AG-690/12870256SR-01000588755SR-01000588755-1BRD-K07002564-001-01-0
이름 더 보기
ethyl 2-[2-[(4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate4-Thiazoleacetic acid, 2-[[[1,2-dihydro-4-hydroxy-2-oxo-1-(2-propen-1-yl)-3-quinolinyl]carbonyl]amino]-, ethyl ester
ethyl (2-{[4-hydroxy-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydroquinoline-3-carbonyl]amino}-1,3-thiazol-4-yl)acetateethyl [2-({[4-hydroxy-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydroquinolin-3-yl]carbonyl}amino)-1,3-thiazol-4-yl]acetateethyl 2-(2-(1-allyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamido)thiazol-4-yl)acetate
데이터베이스 식별자
- CAS
334498-22-5- PubChem CID
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 137 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 710
물리화학적 성질
- 밀도
- 1.426 · 1.426±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.5 · 4.50±1.00(Predicted)
화학 및 산업
공급사4 곳
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…