기본 정보
- CAS
505064-56-2- 표준 SMILES
CC1Cc2ccccc2N1C(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1- InChIKey
QKPDZKMZTWBXRN-UHFFFAOYSA-N- 분자식
- C20H16F3N3O2S
- 평균 분자량
- 419.4 g/mol
이름 및 식별자
- 우선 이름
- 2-(4-Furan-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-1-(2-methyl-2,3-dihydro-indol-1-yl)-ethanone
- IUPAC
- 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
- 영어명
- 4-(2-furyl)-6-(trifluoromethyl)-2-pyrimidinyl 2-(2-methyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl sulfide
- 분자식
- C20H16F3N3O2S
- 분자량
- 419.42
이름 및 동의어
2-(4-Furan-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-1-(2-methyl-2,3-dihydro-indol-1-yl)-ethanoneSMR000011989ChemDiv3_006355MLS000073596MLS002537437CHEMBL1562269HMS1491A19HMS2507C12STK338948AKOS000557394AKOS016356738CCG-117538
이름 더 보기
4-(2-furyl)-6-(trifluoromethyl)-2-pyrimidinyl 2-(2-methyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl sulfideEthanone, 1-(2,3-dihydro-2-methyl-1H-indol-1-yl)-2-[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-
IDI1_0242652-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanoneEU-0017080ST50270430AP-906/42285585BRD-A08630586-001-01-32-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-ylthio]-1-(2-methylindolinyl)eth an-1-one2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethanone
데이터베이스 식별자
- CAS
505064-56-2
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 84.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 594
물리화학적 성질
- 끓는 점
- 584.9 · 584.9±50.0 °C(Predicted)
- 밀도
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.01 · 1.01±0.40(Predicted)
화학 및 산업
공급사2 곳
OTAVA-BB[email protected]
SPECS[email protected]
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