기본 정보
- CAS
200940-22-3- 표준 SMILES
Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2- InChIKey
ZETBBVYSBABLHL-UHFFFAOYSA-N- 분자식
- C22H19F3N4O2
- 평균 분자량
- 428.4 g/mol
- 단동위원소 질량
- 428.14601035
개요
SB 243213 is an indolyl carboxylic acid.
이름 및 식별자
- 우선 이름
- SB 243213
- IUPAC
- 5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
- 영어명
- 1H-Indole-1-carboxamide, 2,3-dihydro-5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-6-(trifluoromethyl)-
- 분자식
- C22H19F3N4O2
- 분자량
- 428.41
이름 및 동의어
SB 2432135-methyl-N-[6-[(2-methyl-3-pyridyl)oxy]-3-pyridyl]-6-(trifluoromethyl)indoline-1-carboxamide5-methyl-N-(6-((2-methyl-3-pyridyl)oxy)-3-pyridyl)-6-(trifluoromethyl)indoline-1-carboxamideRefChem:9313405-methyl-1-((2-((2-methyl-3-pyridyl)oxy)pyridyl)carbamoyl)-6-trifluoromethylindoline200940-22-3SB-2432135-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamideR6MR8DB4PZ5-methyl-N-{6-[(2-methylpyridin-3-yl)oxy]pyridin-3-yl}-6-(trifluoromethyl)-2,3-dihydro-1H-indole-1-carboxamideSB-243213 free baseCHEMBL14460
이름 더 보기
1H-Indole-1-carboxamide, 2,3-dihydro-5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-6-(trifluoromethyl)-
MFCD199811311H-Indole-1-carboxamide, 2,3-dihydro-5-methyl-N-(6-((2-methyl-3-pyridinyl)oxy)-3-pyridinyl)-6-(trifluoromethyl)-SB-243213 dihydrochloride5-Methyl-1-((-2-((2-methyl-3-pyridyl)oxy)-5-pyridyl)carbamoyl)-6-trifluoromethylindoline5-Methyl-N-(6-((2-methylpyridin-3-yl)oxy)pyridin-3-yl)-6-(trifluoromethyl)-2,3-dihydro-1H-indole-1-carboxamide5-Methyl-n-(6-[(2-methylpyridin-3-yl)oxy]pyridin-3-yl)-6-(trifluoromethyl)-2,3-dihydro-1h-indole-1-carboxamideAC1L9EKTSB243213
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 67.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 634
실험 및 물리화학적 성질
Collision Cross Section214.2 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID5047322]
물리화학적 성질
- 저장 조건
- -20 °C · Store at -20°C
- 물리적 상태
- Solid
- 색상
- White to off-white
화학 및 산업
공급사13 곳
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