기본 정보
- 표준 SMILES
CCOC(=O)C(CN1C(=O)c2ccccc2C1=O)(C(=O)OCC)c1ncc(C(F)(F)F)cc1Cl- InChIKey
MNGNZBFGEJCZSB-UHFFFAOYSA-N- 분자식
- C22H18ClF3N2O6
- 평균 분자량
- 498.8 g/mol
이름 및 식별자
- 우선 이름
- Diethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-2-[(1,3-dioxo-2,3-dihydro-1H-2-isoindolyl)methyl]malonate
- IUPAC
- diethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[(1,3-dioxoisoindol-2-yl)methyl]propanedioate
이름 및 동의어
1307316-10-4Diethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-2-[(1,3-dioxo-2,3-dihydro-1H-2-isoindolyl)methyl]malonateSCHEMBL6882644MFCD341688022-(3-Chloro-5-trifluoromethyl-pyridin-2-yl)-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-malonic acid diethyl ester2-(3-Chloro-5-trifluoromethyl-pyridin-2-yl)-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-malonic acid diethyl ester, 95%2-(3-Chloro-5-trifluoromethylpyridin-2-yl)-2-(1,3-dioxo-1,3-dihydroisoindol-2-yl)-malonic acid diethyl esterdiethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-[(1,3-dioxoisoindol-2-yl)methyl]propanedioate
데이터베이스 식별자
- PubChem CID
- 22637220
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 103 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 781
관련 반응
2건
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