기본 정보
- CAS
733810-92-9- 표준 SMILES
Cc1n[nH]c(C(F)(F)F)c1Cc1sc2c(c1C(=O)O)c(=O)n(C)c(=O)n2C(C)C- InChIKey
RZEDXUGEXVCOBJ-UHFFFAOYSA-N- 분자식
- C17H17F3N4O4S
- 평균 분자량
- 430.4 g/mol
- 단동위원소 질량
- 430.0922607
이름 및 식별자
- 우선 이름
- 1-isopropyl-3-methyl-6-((5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-5-carboxylic acid
- IUPAC
- 3-methyl-6-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-2,4-dioxo-1-propan-2-ylthieno[2,3-d]pyrimidine-5-carboxylic acid
- 영어명
- 1-isopropyl-3-methyl-6-((5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-5-carboxylic acid
- 분자식
- C17H17F3N4O4S
- 분자량
- 430.4
이름 및 동의어
733810-92-91-isopropyl-3-methyl-6-((5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-5-carboxylic acid1-Isopropyl-3-methyl-6-((3-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)methyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-5-carboxylic acid1-Isopropyl-3-methyl-6-((3-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)methyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-5-carboxylicacid3-methyl-6-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-2,4-dioxo-1-propan-2-ylthieno[2,3-d]pyrimidine-5-carboxylic acid3-methyl-6-{[3-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}-2,4-dioxo-1-(propan-2-yl)-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-5-carboxylic acidSCHEMBL5099894C17H17F3N4O4SRZEDXUGEXVCOBJ-UHFFFAOYSA-NCS-0015429A50826F600949
이름 더 보기
1-isopropyl-3-methyl-6-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-2,4-dioxo-thieno[2,3-d]pyrimidine-5-carboxylic acidThieno[2,3-d]pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-3-methyl-1-(1-methylethyl)-6-[[3-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-2,4-dioxo-
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 135 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 707
물리화학적 성질
- 끓는 점
- 597.9 · 597.9±60.0 °C(Predicted)
- 밀도
- 1.503 · 1.503±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · Storage temp. 2-8°C
- 산도 계수 (pKa)
- 3.75 · 3.75±0.20(Predicted)
화학 및 산업
공급사9 곳
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
苏州岚云医药科技有限公司2332782371 · [email protected]
上海缘启生物科技有限公司+86-2332782371 +86-18120098618 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
苏州宸瑞生物科技有限公司17625585511 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…