ethyl 5-({[3-allyl-5-(4-methoxyphenyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
315681-88-0- 표준 SMILES
C=CCn1c(SCC(=O)c2[nH]c(C)c(C(=O)OCC)c2C)nc2scc(-c3ccc(OC)cc3)c2c1=O- InChIKey
HGTBJTQLGDBRJA-UHFFFAOYSA-N- 분자식
- C27H27N3O5S2
- 평균 분자량
- 537.7 g/mol
- 단동위원소 질량
- 537.13921332
이름 및 식별자
- 우선 이름
- ethyl 5-({[3-allyl-5-(4-methoxyphenyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
- IUPAC
- ethyl 5-[2-[5-(4-methoxyphenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
- 영어명
- ethyl 5-({[3-allyl-5-(4-methoxyphenyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
- 분자식
- C27H27N3O5S2
- 분자량
- 537.65
이름 및 동의어
ethyl 5-({[3-allyl-5-(4-methoxyphenyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylateOprea1_504257MLS000388582CHEMBL1310008HMS2582D15AKOS001028336ethyl 5-[2-[5-(4-methoxyphenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylateSMR000254755ST50050570AF-399/15128380SR-01000471359SR-01000471359-1
이름 더 보기
1H-Pyrrole-3-carboxylic acid, 5-[2-[[3,4-dihydro-5-(4-methoxyphenyl)-4-oxo-3-(2-propen-1-yl)thieno[2,3-d]pyrimidin-2-yl]thio]acetyl]-2,4-dimethyl-, ethyl ester
Z56799311ethyl 5-({[5-(4-methoxyphenyl)-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylateethyl 5-{2-[5-(4-methoxyphenyl)-4-oxo-3-prop-2-enyl(3-hydrothiopheno[2,3-d]pyr imidin-2-ylthio)]acetyl}-2,4-dimethylpyrrole-3-carboxylate
물성
구조 계산 물성보충 중
- XLogP
- 5.6
- 극성 표면적
- 155 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 906
물리화학적 성질
- 끓는 점
- 741.9 · 741.9±70.0 °C(Predicted)
- 밀도
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.31 · 14.31±0.50(Predicted)
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…