기본 정보
- CAS
295344-45-5- 표준 SMILES
CCSCCOC(=O)C1=C(C)NC(=O)NC1c1cc2c(cc1Br)OCO2- InChIKey
UUHWNGLEKGNGRU-UHFFFAOYSA-N- 분자식
- C17H19BrN2O5S
- 평균 분자량
- 443.3 g/mol
이름 및 식별자
- 우선 이름
- 2-ethylsulfanylethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
- IUPAC
- 2-ethylsulfanylethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
- 영어명
- 2-(ethylsulfanyl)ethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- 분자식
- C17H19BrN2O5S
- 분자량
- 443.31
이름 및 동의어
295344-45-52-ethylsulfanylethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate2-(ethylsulfanyl)ethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylateChemDiv1_000374HMS588A22STK364031STK649409AKOS000650738AKOS005580131AKOS022065564ST50911762AG-690/33424009
이름 더 보기
5-Pyrimidinecarboxylic acid, 4-(6-bromo-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, 2-(ethylthio)ethyl ester
SR-01000399579SR-01000399579-12-(ETHYLSULFANYL)ETHYL 4-(6-BROMO-2H-1,3-BENZODIOXOL-5-YL)-6-METHYL-2-OXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE2-(ethylsulfanyl)ethyl 6-(6-bromo-1,3-benzodioxol-5-yl)-2-hydroxy-4-methyl-1,6-dihydropyrimidine-5-carboxylate2-(ethylthio)ethyl 4-(6-bromobenzo[d][1,3]dioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate2-ethylthioethyl 6-(6-bromo(2H-benzo[d]1,3-dioxolen-5-yl))-4-methyl-2-oxo-1,3, 6-trihydropyrimidine-5-carboxylate
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 111 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 588
물리화학적 성질
- 끓는 점
- 536.8 · 536.8±50.0 °C(Predicted)
- 밀도
- 1.492 · 1.492±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.75 · 10.75±0.70(Predicted)
화학 및 산업
공급사3 곳
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