기본 정보
- CAS
379249-45-3- 표준 SMILES
CCOC(=O)c1c(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2-c2ccccc2)sc2c1CCC2- InChIKey
YJHBLVWPGJDIRF-UHFFFAOYSA-N- 분자식
- C26H25N3O4S3
- 평균 분자량
- 539.7 g/mol
이름 및 식별자
- 우선 이름
- ethyl 2-({[(5,6-dimethyl-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- IUPAC
- ethyl 2-[[2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- 영어명
- ethyl 2-({[(5,6-dimethyl-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- 분자식
- C26H25N3O4S3
- 분자량
- 539.69
이름 및 동의어
ethyl 2-({[(5,6-dimethyl-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateOprea1_224551AKOS001061189ethyl 2-[[2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateST50052106AF-399/40684275Z20218896ethyl 2-[2-(5,6-dimethyl-4-oxo-3-phenyl-3-hydrothiopheno[2,3-d]pyrimidin-2-ylt hio)acetylamino]-4,5,6-trihydrocyclopenta[2,1-b]thiophene-3-carboxylate4H-Cyclopenta[b]thiophene-3-carboxylic acid, 2-[[2-[(3,4-dihydro-5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]-5,6-dihydro-, ethyl ester
데이터베이스 식별자
- CAS
379249-45-3
물성
구조 계산 물성
- XLogP
- 6.5
- 극성 표면적
- 170 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 896
물리화학적 성질
- 밀도
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.15 · 12.15±0.20(Predicted)
화학 및 산업
공급사2 곳
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
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