5-Chloro-3-(2-ethoxypyridin-3-yl)-6-fluoro-3-{2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxo-ethyl}-1,3-dihydroindol-2-one
기본 정보
- 표준 SMILES
CCOc1ncccc1C1(CC(=O)N2CCN(C3CCN(C)CC3)CC2)C(=O)Nc2cc(F)c(Cl)cc21- InChIKey
YPDQSGPQMYTWAJ-UHFFFAOYSA-N- 분자식
- C27H33ClFN5O3
- 평균 분자량
- 530 g/mol
이름 및 식별자
- 우선 이름
- 5-Chloro-3-(2-ethoxypyridin-3-yl)-6-fluoro-3-{2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxo-ethyl}-1,3-dihydroindol-2-one
- IUPAC
- 5-chloro-3-(2-ethoxy-3-pyridinyl)-6-fluoro-3-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1H-indol-2-one
이름 및 동의어
5-Chloro-3-(2-ethoxypyridin-3-yl)-6-fluoro-3-[2-[4-(1-methylpiperidin-4-yl)-piperazin-1-yl]-2-oxo-ethyl}-1,3-dihydroindol-2-one5-Chloro-3-(2-ethoxypyridin-3-yl)-6-fluoro-3-{2-[4-(1-methylpiperidin-4-yl)-piperazin-1-yl]-2-oxo-ethyl}-1,3-dihydroindol-2-oneSCHEMBL1588523YPDQSGPQMYTWAJ-UHFFFAOYSA-N5-chloro-3-(2-ethoxypyridin-3-yl)-6-fluoro-3-{2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxo-ethyl}-1,3-dihydroindol-2-one
데이터베이스 식별자
- PubChem CID
- 67087506
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 78 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 822
관련 반응
6건
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