ethyl 2-(2-((4,6-dimethylpyrimidin-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
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기본 정보
- CAS
330555-57-2- 표준 SMILES
CCOC(=O)c1c(NC(=O)CSc2nc(C)cc(C)n2)sc2c1CCC2- InChIKey
LGNHRIBQFHHMCI-UHFFFAOYSA-N- 분자식
- C18H21N3O3S2
- 평균 분자량
- 391.5 g/mol
- 단동위원소 질량
- 391.10243389
이름 및 식별자
- 우선 이름
- ethyl 2-(2-((4,6-dimethylpyrimidin-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- IUPAC
- ethyl 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- 영어명
- ethyl 2-(2-((4,6-dimethylpyrimidin-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- 분자식
- C18H21N3O3S2
- 분자량
- 391.51
이름 및 동의어
330555-57-2ethyl 2-(2-((4,6-dimethylpyrimidin-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateETHYL 2-{2-[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]ACETAMIDO}-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATEethyl 2-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateOprea1_128509Oprea1_178612IFLab1_005215HMS1426N01STK121498AKOS000559069ethyl 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateST096739
이름 더 보기
4H-Cyclopenta[b]thiophene-3-carboxylic acid, 2-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetyl]amino]-5,6-dihydro-, ethyl ester
EU-0070854AG-205/36915430SR-01000427128SR-01000427128-1BRD-K24797573-001-01-3F1213-0002ethyl 2-({[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateethyl 2-[2-(4,6-dimethylpyrimidin-2-ylthio)acetylamino]-4,5,6-trihydrocyclopen ta[2,1-b]thiophene-3-carboxylate
데이터베이스 식별자
- CAS
330555-57-2- PubChem CID
- 1119891
물성
구조 계산 물성보충 중
- XLogP
- 4.2
- 극성 표면적
- 135 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 512
물리화학적 성질
- 끓는 점
- 630.3 · 630.3±55.0 °C(Predicted)
- 밀도
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12 · 12+-.0.20(Predicted)
관련 반응
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