Dimethyl 3-methyl-5-[[2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate
기본 정보
- CAS
315711-40-1- 표준 SMILES
C=CCn1c(SCC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)nc2sc3c(c2c1=O)CCCC3- InChIKey
AGAOKMRCMRTKSM-UHFFFAOYSA-N- 분자식
- C24H25N3O6S3
- 평균 분자량
- 547.7 g/mol
이름 및 식별자
- 우선 이름
- Dimethyl 3-methyl-5-[[2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate
- IUPAC
- dimethyl 3-methyl-5-[[2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate
- 영어명
- dimethyl 5-({[(3-allyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-3-methyl-2,4-thiophenedicarboxylate
- 분자식
- C24H25N3O6S3
- 분자량
- 547.67
이름 및 동의어
dimethyl 5-({[(3-allyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-3-methyl-2,4-thiophenedicarboxylateAKOS001052386dimethyl 3-methyl-5-[[2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylateUPCMLD0ENAT0513-7954:001ST50051070AF-399/15336004SR-01000477505SR-01000477505-1Z20215874dimethyl 5-({[(3-allyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)thio]acetyl}amino)-3-methyl-2,4-thiophenedicarboxylateDIMETHYL 5-({2-[(3-ALLYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETYL}AMINO)-3-METHYL-2,4-THIOPHENEDICARBOXYLATEmethyl 5-(methoxycarbonyl)-4-methyl-2-[2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentah ydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetylamino]thiophene-3-carbox ylate
이름 더 보기
2,4-Thiophenedicarboxylic acid, 5-[[2-[[3,4,5,6,7,8-hexahydro-4-oxo-3-(2-propen-1-yl)[1]benzothieno[2,3-d]pyrimidin-2-yl]thio]acetyl]amino]-3-methyl-, 2,4-dimethyl ester
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 196 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 946
물리화학적 성질
- 밀도
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.77 · 11.77±0.70(Predicted)
관련 반응
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